 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_M11-augccpVDZr.in
 Output=25_methylisochromane_Chair_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/25_methylisochromane_Chair_STD/Gau-23192.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     23193.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Chair_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 20:27:13 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 20:27:13 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Thu Jul  8 20:27:13 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 20:27:16 2021, MaxMem= 10737418240 cpu:              34.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.12D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Thu Jul  8 20:27:17 2021, MaxMem= 10737418240 cpu:               9.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 20:27:17 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 20:27:18 2021, MaxMem= 10737418240 cpu:              10.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737115031 LenY= 10736967901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.262360944528    
 DIIS: error= 2.79D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.262360944528     IErMin= 1 ErrMin= 2.79D-03
 ErrMax= 2.79D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-02 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.79D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 GapD=    0.396 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.93D-02 MaxDP=6.54D+00              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.39D-02    CP:  1.67D+00
 E= -463.274315238397     Delta-E=       -0.011954293868 Rises=F Damp=F
 DIIS: error= 5.04D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.274315238397     IErMin= 2 ErrMin= 5.04D-04
 ErrMax= 5.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-04 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.04D-03
 Coeff-Com: -0.136D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.135D-01 0.101D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.70D-02 MaxDP=1.32D+00 DE=-1.20D-02 OVMax= 7.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.11D-03    CP:  1.80D+00  1.18D+00
 E= -463.274574362526     Delta-E=       -0.000259124129 Rises=F Damp=F
 DIIS: error= 5.30D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.274574362526     IErMin= 2 ErrMin= 5.04D-04
 ErrMax= 5.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-04 BMatP= 4.64D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.30D-03
 Coeff-Com: -0.445D-01 0.500D+00 0.545D+00
 Coeff-En:   0.000D+00 0.182D+00 0.818D+00
 Coeff:     -0.443D-01 0.498D+00 0.546D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.91D-03 MaxDP=1.46D-01 DE=-2.59D-04 OVMax= 3.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.73D-04    CP:  1.82D+00  1.20D+00  1.13D+00
 E= -463.274839988441     Delta-E=       -0.000265625915 Rises=F Damp=F
 DIIS: error= 6.94D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.274839988441     IErMin= 4 ErrMin= 6.94D-05
 ErrMax= 6.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-06 BMatP= 3.92D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-02-0.281D-01 0.885D-01 0.944D+00
 Coeff:     -0.404D-02-0.281D-01 0.885D-01 0.944D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=6.49D-04 MaxDP=4.83D-02 DE=-2.66D-04 OVMax= 8.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.69D-04    CP:  1.82D+00  1.20D+00  1.21D+00  1.48D+00
 E= -463.274849083151     Delta-E=       -0.000009094710 Rises=F Damp=F
 DIIS: error= 3.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.274849083151     IErMin= 5 ErrMin= 3.21D-05
 ErrMax= 3.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.45D-07 BMatP= 8.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.382D-01-0.156D-01 0.239D+00 0.814D+00
 Coeff:      0.169D-02-0.382D-01-0.156D-01 0.239D+00 0.814D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=8.75D-05 MaxDP=4.22D-03 DE=-9.09D-06 OVMax= 2.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.59D-05    CP:  1.82D+00  1.20D+00  1.23D+00  1.55D+00  1.29D+00
 E= -463.274849882593     Delta-E=       -0.000000799442 Rises=F Damp=F
 DIIS: error= 1.00D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.274849882593     IErMin= 6 ErrMin= 1.00D-05
 ErrMax= 1.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.29D-08 BMatP= 6.45D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.827D-03-0.819D-02-0.133D-01-0.113D-01 0.236D+00 0.796D+00
 Coeff:      0.827D-03-0.819D-02-0.133D-01-0.113D-01 0.236D+00 0.796D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.65D-05 MaxDP=1.98D-03 DE=-7.99D-07 OVMax= 1.05D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.40D-05    CP:  1.82D+00  1.20D+00  1.23D+00  1.57D+00  1.34D+00
                    CP:  9.80D-01
 E= -463.274849986499     Delta-E=       -0.000000103906 Rises=F Damp=F
 DIIS: error= 2.71D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.274849986499     IErMin= 7 ErrMin= 2.71D-06
 ErrMax= 2.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-09 BMatP= 7.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.876D-04 0.149D-02-0.252D-02-0.280D-01-0.202D-01 0.240D+00
 Coeff-Com:  0.809D+00
 Coeff:      0.876D-04 0.149D-02-0.252D-02-0.280D-01-0.202D-01 0.240D+00
 Coeff:      0.809D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.87D-06 MaxDP=5.79D-04 DE=-1.04D-07 OVMax= 4.61D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.38D-06    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.12D+00
 E= -463.274850000638     Delta-E=       -0.000000014139 Rises=F Damp=F
 DIIS: error= 9.01D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.274850000638     IErMin= 8 ErrMin= 9.01D-07
 ErrMax= 9.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-09 BMatP= 9.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.919D-04 0.168D-02 0.108D-02-0.848D-02-0.424D-01-0.303D-01
 Coeff-Com:  0.282D+00 0.796D+00
 Coeff:     -0.919D-04 0.168D-02 0.108D-02-0.848D-02-0.424D-01-0.303D-01
 Coeff:      0.282D+00 0.796D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=3.22D-06 MaxDP=1.92D-04 DE=-1.41D-08 OVMax= 1.64D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.61D-06    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.17D+00  1.15D+00
 E= -463.274850002791     Delta-E=       -0.000000002154 Rises=F Damp=F
 DIIS: error= 2.24D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.274850002791     IErMin= 9 ErrMin= 2.24D-07
 ErrMax= 2.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-11 BMatP= 1.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.209D-04 0.183D-03 0.396D-03 0.565D-03-0.657D-02-0.255D-01
 Coeff-Com: -0.938D-02 0.159D+00 0.882D+00
 Coeff:     -0.209D-04 0.183D-03 0.396D-03 0.565D-03-0.657D-02-0.255D-01
 Coeff:     -0.938D-02 0.159D+00 0.882D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.17D-06 MaxDP=1.65D-04 DE=-2.15D-09 OVMax= 4.30D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.42D-07    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.18D+00  1.26D+00  1.08D+00
 E= -463.274850002746     Delta-E=        0.000000000045 Rises=F Damp=F
 DIIS: error= 7.68D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -463.274850002791     IErMin=10 ErrMin= 7.68D-08
 ErrMax= 7.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 6.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.335D-05-0.142D-03 0.151D-04 0.138D-02 0.310D-02-0.548D-02
 Coeff-Com: -0.388D-01-0.445D-01 0.302D+00 0.782D+00
 Coeff:      0.335D-05-0.142D-03 0.151D-04 0.138D-02 0.310D-02-0.548D-02
 Coeff:     -0.388D-01-0.445D-01 0.302D+00 0.782D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.08D-07 MaxDP=7.61D-05 DE= 4.50D-11 OVMax= 1.82D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.98D-07    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.19D+00  1.29D+00  1.15D+00  1.03D+00
 E= -463.274850002910     Delta-E=       -0.000000000163 Rises=F Damp=F
 DIIS: error= 2.24D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.274850002910     IErMin=11 ErrMin= 2.24D-08
 ErrMax= 2.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-13 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.234D-05-0.403D-04-0.321D-04 0.208D-03 0.100D-02 0.108D-02
 Coeff-Com: -0.506D-02-0.208D-01-0.189D-01 0.132D+00 0.910D+00
 Coeff:      0.234D-05-0.403D-04-0.321D-04 0.208D-03 0.100D-02 0.108D-02
 Coeff:     -0.506D-02-0.208D-01-0.189D-01 0.132D+00 0.910D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=9.21D-06 DE=-1.63D-10 OVMax= 6.03D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.65D-08    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.19D+00  1.29D+00  1.16D+00  1.09D+00
                    CP:  1.13D+00
 E= -463.274850002923     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.76D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.274850002923     IErMin=12 ErrMin= 1.76D-08
 ErrMax= 1.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-13 BMatP= 6.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-06 0.449D-05-0.129D-04-0.101D-03-0.684D-04 0.103D-02
 Coeff-Com:  0.322D-02-0.174D-02-0.435D-01-0.492D-01 0.324D+00 0.766D+00
 Coeff:      0.289D-06 0.449D-05-0.129D-04-0.101D-03-0.684D-04 0.103D-02
 Coeff:      0.322D-02-0.174D-02-0.435D-01-0.492D-01 0.324D+00 0.766D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=4.22D-08 MaxDP=2.29D-06 DE=-1.34D-11 OVMax= 3.73D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.67D-08    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.19D+00  1.29D+00  1.16D+00  1.09D+00
                    CP:  1.23D+00  1.23D+00
 E= -463.274850002870     Delta-E=        0.000000000053 Rises=F Damp=F
 DIIS: error= 5.87D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -463.274850002923     IErMin=13 ErrMin= 5.87D-09
 ErrMax= 5.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-14 BMatP= 1.72D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.361D-06 0.903D-05 0.316D-05-0.666D-04-0.215D-03 0.551D-04
 Coeff-Com:  0.187D-02 0.351D-02-0.892D-02-0.397D-01-0.966D-01 0.193D+00
 Coeff-Com:  0.947D+00
 Coeff:     -0.361D-06 0.903D-05 0.316D-05-0.666D-04-0.215D-03 0.551D-04
 Coeff:      0.187D-02 0.351D-02-0.892D-02-0.397D-01-0.966D-01 0.193D+00
 Coeff:      0.947D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.94D-08 MaxDP=1.58D-06 DE= 5.34D-11 OVMax= 2.21D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  8.38D-09    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.19D+00  1.29D+00  1.16D+00  1.09D+00
                    CP:  1.28D+00  1.45D+00  1.37D+00
 E= -463.274850002888     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 3.00D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -463.274850002923     IErMin=14 ErrMin= 3.00D-09
 ErrMax= 3.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-15 BMatP= 2.68D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-06 0.110D-05 0.266D-05 0.124D-05-0.290D-04-0.135D-03
 Coeff-Com: -0.646D-04 0.855D-03 0.428D-02 0.583D-03-0.546D-01-0.840D-01
 Coeff-Com:  0.126D+00 0.101D+01
 Coeff:     -0.115D-06 0.110D-05 0.266D-05 0.124D-05-0.290D-04-0.135D-03
 Coeff:     -0.646D-04 0.855D-03 0.428D-02 0.583D-03-0.546D-01-0.840D-01
 Coeff:      0.126D+00 0.101D+01
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.26D-08 MaxDP=7.09D-07 DE=-1.80D-11 OVMax= 9.99D-08

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.49D-09    CP:  1.82D+00  1.20D+00  1.23D+00  1.58D+00  1.36D+00
                    CP:  1.02D+00  1.19D+00  1.29D+00  1.16D+00  1.08D+00
                    CP:  1.29D+00  1.51D+00  1.57D+00  1.46D+00
 E= -463.274850002883     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 1.04D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -463.274850002923     IErMin=15 ErrMin= 1.04D-09
 ErrMax= 1.04D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.48D-16 BMatP= 3.66D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.593D-07-0.179D-05-0.170D-06 0.145D-04 0.414D-04-0.411D-04
 Coeff-Com: -0.413D-03-0.626D-03 0.283D-02 0.898D-02 0.124D-01-0.674D-01
 Coeff-Com: -0.189D+00 0.276D+00 0.958D+00
 Coeff:      0.593D-07-0.179D-05-0.170D-06 0.145D-04 0.414D-04-0.411D-04
 Coeff:     -0.413D-03-0.626D-03 0.283D-02 0.898D-02 0.124D-01-0.674D-01
 Coeff:     -0.189D+00 0.276D+00 0.958D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.14D-09 MaxDP=3.08D-07 DE= 5.00D-12 OVMax= 5.20D-08

 SCF Done:  E(RM11) =  -463.274850003     A.U. after   15 cycles
            NFock= 15  Conv=0.51D-08     -V/T= 2.0064
 KE= 4.603361687793D+02 PE=-2.287877479593D+03 EE= 7.585017634820D+02
 Leave Link  502 at Thu Jul  8 20:32:59 2021, MaxMem= 10737418240 cpu:            5431.6 elap:             340.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.15247691D+03

 Leave Link  801 at Thu Jul  8 20:32:59 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 3.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 1.75D-01 7.33D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 2.98D-02 5.35D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 2.54D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 3.24D-04 3.52D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 2.57D-05 6.96D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 1.01D-06 1.47D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 3.37D-08 2.00D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 8.31D-10 4.02D-06.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 1.61D-11 5.80D-07.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 3.57D-13 1.14D-07.
      3 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 1.27D-14 1.66D-08.
      2 vectors produced by pass 12 Test12= 2.14D-13 8.33D-09 XBig12= 5.35D-15 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.150134D+03
      2 -0.263651D+01  0.133772D+03
      3  0.789743D+00 -0.465711D+01  0.854564D+02
 Isotropic polarizability for W=    0.085645      123.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.131181D+03  0.662621D+01 -0.624544D+01
      2  -0.703111D+02  0.203353D+02 -0.139506D+02
      3  -0.608697D+02 -0.269615D+02  0.201961D+02
      4   0.578618D+02  0.636181D+02 -0.173575D+02
      5   0.161241D+02 -0.182096D+02 -0.100005D+02
      6  -0.440487D+01  0.116508D+02  0.201971D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.427805D+01  0.241981D+00 -0.123672D+02
      2   0.556272D+01 -0.118111D+02 -0.177509D+01
      3   0.884610D+01 -0.464300D+02  0.917501D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.852043D+00  0.256015D+02 -0.471586D+02
      2  -0.223696D+02 -0.129526D+02  0.508692D+02
      3   0.512356D+02 -0.133929D+03  0.138047D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.153107D+01 -0.104719D+01  0.138989D+01
      2  -0.104719D+01  0.348837D+01  0.166877D+01
      3   0.138989D+01  0.166877D+01 -0.315371D+00
 OR G Eigenvalues:    -2.9528     0.4313     4.1634  Iso=    -0.5473
 Eigenvectors:
   (1)   0.767975   0.274748  -0.578556
   (2)   0.633432  -0.192183   0.749553
   (3)  -0.094750   0.942114   0.321626
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5473 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -175.14 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 3.79D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.86D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.29D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 4.48D-02 2.42D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 1.77D-03 5.60D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 2.69D-05 7.90D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 4.63D-07 9.47D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 6.46D-09 9.04D-06.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.05D-10 1.13D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.43D-12 1.09D-07.
     22 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 1.94D-14 1.24D-08.
      5 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 1.33D-15 5.46D-09.
      4 vectors produced by pass 10 Test12= 3.57D-14 2.78D-09 XBig12= 5.22D-15 8.33D-09.
      4 vectors produced by pass 11 Test12= 3.57D-14 2.78D-09 XBig12= 7.87D-15 1.22D-08.
      1 vectors produced by pass 12 Test12= 3.57D-14 2.78D-09 XBig12= 3.49D-16 3.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   276 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 7.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 7.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.84D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150134D+03 -0.263651D+01  0.789743D+00
      2  -0.263651D+01  0.133772D+03 -0.465711D+01
      3   0.789743D+00 -0.465711D+01  0.854564D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.427805D+01  0.241981D+00 -0.123672D+02
      2   0.556272D+01 -0.118111D+02 -0.177509D+01
      3   0.884610D+01 -0.464300D+02  0.917501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.131181D+03  0.662621D+01 -0.624544D+01
      2  -0.703111D+02  0.203353D+02 -0.139506D+02
      3  -0.608697D+02 -0.269615D+02  0.201961D+02
      4   0.578618D+02  0.636181D+02 -0.173575D+02
      5   0.161241D+02 -0.182096D+02 -0.100005D+02
      6  -0.440487D+01  0.116508D+02  0.201971D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146754D+01  0.158265D+01 -0.666873D+00  0.445140D+01 -0.874897D+00
      2   0.158265D+01  0.178371D+01 -0.143462D+00 -0.874897D+00  0.237395D+01
      3  -0.666873D+00 -0.143462D+00  0.213277D+01  0.871907D+00  0.421577D+00
                 6             7             8             9            10 
      1   0.871907D+00 -0.119210D+01  0.569376D+00  0.393262D+01  0.507750D+01
      2   0.421577D+00  0.569376D+00  0.625936D+00  0.322726D+01 -0.858546D+00
      3   0.242929D+01  0.393262D+01  0.322726D+01 -0.876180D+00 -0.291458D+00
                11            12            13            14            15 
      1  -0.858546D+00 -0.291458D+00 -0.141788D+01 -0.157663D+01  0.889012D+00
      2   0.263096D+01  0.127868D+00 -0.157663D+01 -0.264279D+01  0.385036D-01
      3   0.127868D+00  0.298687D+01  0.889012D+00  0.385036D-01 -0.106614D+01
                16            17            18            19            20 
      1   0.309664D-01  0.958092D+00  0.515804D+01  0.638025D+00 -0.453919D+01
      2   0.958092D+00  0.341157D+00 -0.121305D+01 -0.453919D+01 -0.749632D+00
      3   0.515804D+01 -0.121305D+01  0.114438D+01  0.640991D+00 -0.272444D+00
                21            22            23            24            25 
      1   0.640991D+00  0.470185D+01 -0.104496D+01  0.912956D-01 -0.623849D-01
      2  -0.272444D+00 -0.104496D+01  0.234154D+01  0.534738D+00 -0.344200D+00
      3  -0.951399D+00  0.912956D-01  0.534738D+00  0.208640D+01 -0.136520D+00
                26            27            28            29            30 
      1  -0.344200D+00 -0.136520D+00 -0.126839D+02  0.453317D+01 -0.137187D+01
      2   0.513786D+00  0.356458D+01  0.453317D+01 -0.457447D+01  0.632145D+00
      3   0.356458D+01 -0.172147D+01 -0.137187D+01  0.632145D+00 -0.187399D+01
                31            32            33            34            35 
      1   0.788716D+01  0.233964D+01 -0.282941D+00 -0.111982D+01 -0.577978D+00
      2   0.233964D+01  0.179870D+01  0.303449D+00 -0.577978D+00  0.857700D-01
      3  -0.282941D+00  0.303449D+00 -0.258397D-02 -0.286309D+01  0.125079D+01
                36            37            38            39            40 
      1  -0.286309D+01 -0.161624D+00 -0.381681D+01  0.535407D+00 -0.121584D+02
      2   0.125079D+01 -0.381681D+01 -0.664986D+01  0.992446D+00 -0.295014D+01
      3  -0.144414D+01  0.535407D+00  0.992446D+00 -0.174747D+01  0.234980D+00
                41            42            43            44            45 
      1  -0.295014D+01  0.234980D+00  0.205252D+01  0.212718D-01 -0.184269D+01
      2  -0.605565D+01  0.452913D-02  0.212718D-01 -0.350886D+00 -0.292342D+01
      3   0.452913D-02 -0.838533D+00 -0.184269D+01 -0.292342D+01  0.735371D+00
                46            47            48            49            50 
      1  -0.289413D+01  0.325838D+01 -0.527997D+00 -0.438018D+01  0.585268D+00
      2   0.325838D+01  0.315303D+01 -0.423636D-01  0.585268D+00 -0.562899D+00
      3  -0.527997D+00 -0.423636D-01 -0.562301D-01  0.966153D-01 -0.671299D+00
                51            52            53            54            55 
      1   0.966153D-01 -0.339507D-01  0.789723D+00  0.158669D+01  0.207989D+01
      2  -0.671299D+00  0.789723D+00 -0.338290D+00 -0.349114D+01 -0.304628D+00
      3  -0.244881D+01  0.158669D+01 -0.349114D+01  0.138023D+01  0.623240D+00
                56            57            58            59            60 
      1  -0.304628D+00  0.623240D+00 -0.826173D+00  0.427457D+01 -0.438492D+00
      2   0.314599D+01 -0.360574D+00  0.427457D+01 -0.177786D+01 -0.188739D+01
      3  -0.360574D+00  0.192483D+01 -0.438492D+00 -0.188739D+01 -0.101180D+01
                61            62            63            64            65 
      1   0.239882D+01 -0.510450D+00  0.329849D+01  0.723040D+01 -0.190643D+01
      2  -0.510450D+00 -0.221666D+01 -0.143320D+01 -0.190643D+01 -0.230883D+01
      3   0.329849D+01 -0.143320D+01  0.819982D+01  0.200574D+01  0.417243D-01
                66            67            68            69            70 
      1   0.200574D+01 -0.436297D+01 -0.166490D+01  0.479667D+00  0.225569D+01
      2   0.417243D-01 -0.166490D+01  0.112975D+01  0.129346D+01  0.133971D-01
      3  -0.155117D+00  0.479667D+00  0.129346D+01 -0.800138D+00  0.179475D+01
                71            72            73            74            75 
      1   0.133971D-01  0.179475D+01 -0.556992D+01 -0.125366D+01 -0.163614D+01
      2   0.176039D+01  0.532445D+00 -0.125366D+01  0.781510D+00 -0.103986D+01
      3   0.532445D+00 -0.778000D+01 -0.163614D+01 -0.103986D+01  0.274947D+00
                76            77            78            79            80 
      1   0.764897D+00 -0.111485D+01 -0.531805D+00 -0.181378D+01  0.280123D+00
      2  -0.111485D+01 -0.521491D+01 -0.143635D+01  0.280123D+00 -0.131043D+01
      3  -0.531805D+00 -0.143635D+01  0.278090D+00 -0.171284D+01 -0.208200D+01
                81            82            83            84            85 
      1  -0.171284D+01  0.265885D+01  0.393875D+00  0.184702D+00  0.997403D+00
      2  -0.208200D+01  0.393875D+00 -0.161852D+01 -0.697027D+00  0.224749D+01
      3   0.513205D-02  0.184702D+00 -0.697027D+00 -0.240786D+00 -0.133337D+01
                86            87            88            89            90 
      1   0.224749D+01 -0.133337D+01 -0.869284D+00 -0.290048D+01  0.222159D+01
      2   0.839178D+01  0.481952D+00 -0.290048D+01 -0.987763D+00  0.600975D+01
      3   0.481952D+00  0.242484D+01  0.222159D+01  0.600975D+01 -0.536078D+01
                91            92            93            94            95 
      1   0.702239D+01  0.443078D+01 -0.323986D+00  0.448461D+01  0.449681D+01
      2   0.443078D+01  0.342199D+01 -0.187482D+00  0.449681D+01  0.527793D+01
      3  -0.323986D+00 -0.187482D+00  0.632499D+00 -0.494938D+00 -0.473707D+00
                96            97            98            99           100 
      1  -0.494938D+00 -0.177826D+00 -0.337274D+00  0.131358D-01  0.129068D+02
      2  -0.473707D+00 -0.337274D+00 -0.512140D+00  0.649332D-01 -0.248511D+01
      3   0.662404D+00  0.131358D-01  0.649332D-01 -0.466028D-01  0.100200D+01
               101           102           103           104           105 
      1  -0.248511D+01  0.100200D+01 -0.256461D+01  0.213526D+01 -0.452521D+00
      2   0.119940D+01 -0.184918D+00  0.213526D+01 -0.107788D+01  0.237596D+00
      3  -0.184918D+00  0.889780D+00 -0.452521D+00  0.237596D+00 -0.282660D+00
               106           107           108           109           110 
      1   0.111471D+01 -0.498230D+00  0.632134D-01 -0.873794D+00  0.147488D+01
      2  -0.498230D+00  0.166357D+00 -0.545329D-01  0.147488D+01 -0.964921D+00
      3   0.632134D-01 -0.545329D-01  0.833253D-01 -0.147467D+00  0.190331D+00
               111           112           113           114           115 
      1  -0.147467D+00  0.129164D+01 -0.111237D+01  0.982161D-01 -0.275171D+00
      2   0.190331D+00 -0.111237D+01  0.889562D+01 -0.136626D+01  0.278580D+00
      3  -0.820829D-01  0.982161D-01 -0.136626D+01  0.960644D+00  0.192259D-01
               116           117           118           119           120 
      1   0.278580D+00  0.192259D-01  0.149144D+01 -0.196028D+01  0.314432D+00
      2  -0.151391D+01  0.303838D+00 -0.196028D+01  0.217658D+01 -0.378764D+00
      3   0.303838D+00 -0.290152D+00  0.314432D+00 -0.378764D+00  0.359260D+00
               121           122           123           124           125 
      1  -0.186003D+01  0.293483D+01 -0.411934D+00  0.455674D+00 -0.532962D+00
      2   0.293483D+01 -0.987452D+01  0.127972D+01 -0.532962D+00  0.137600D+01
      3  -0.411934D+00  0.127972D+01 -0.979244D+00  0.197754D+00 -0.379157D+00
               126           127           128           129           130 
      1   0.197754D+00 -0.191512D+01  0.262052D+00 -0.183438D+01  0.724117D+00
      2  -0.379157D+00  0.262052D+00 -0.677740D+00  0.325654D+00 -0.166896D+01
      3   0.274900D+00 -0.183438D+01  0.325654D+00 -0.167483D+01  0.482130D+00
               131           132           133           134           135 
      1  -0.166896D+01  0.482130D+00 -0.452034D+01  0.124418D+01 -0.322787D+01
      2   0.136834D+01 -0.104383D+01  0.124418D+01 -0.151955D+01  0.143807D+01
      3  -0.104383D+01  0.878863D+00 -0.322787D+01  0.143807D+01 -0.890612D+01
               136           137           138           139           140 
      1   0.833050D+01 -0.336149D+01  0.103138D+01 -0.536256D+00 -0.367660D+01
      2  -0.336149D+01 -0.240497D+01  0.421553D-01 -0.367660D+01  0.475696D+00
      3   0.103138D+01  0.421553D-01 -0.177845D+01  0.320835D-01  0.297745D+01
               141           142           143           144           145 
      1   0.320835D-01  0.167846D+01 -0.844132D+00 -0.155735D+01 -0.121543D+02
      2   0.297745D+01 -0.844132D+00  0.399616D+01 -0.157723D+00  0.549682D+00
      3   0.241505D+00 -0.155735D+01 -0.157723D+00 -0.571096D+01 -0.153273D+01
               146           147           148           149           150 
      1   0.549682D+00 -0.153273D+01  0.157536D+01 -0.140185D+01  0.143001D+00
      2  -0.103226D+01  0.870675D-02 -0.140185D+01  0.365488D+00 -0.452761D+00
      3   0.870675D-02 -0.111401D+01  0.143001D+00 -0.452761D+00  0.123163D-01
               151           152           153           154           155 
      1  -0.295554D+01  0.148015D+00 -0.181851D+01 -0.119055D+01  0.514935D-01
      2   0.148015D+00 -0.760583D+00  0.384503D-01  0.514935D-01  0.350885D+00
      3  -0.181851D+01  0.384503D-01 -0.369137D+00  0.104333D+01  0.330887D-01
               156           157           158           159           160 
      1   0.104333D+01  0.207376D+00 -0.230255D+00 -0.309708D-01  0.197626D+01
      2   0.330887D-01 -0.230255D+00 -0.199814D+00  0.110537D+01  0.374930D-01
      3   0.821599D-01 -0.309708D-01  0.110537D+01 -0.248803D+00 -0.264461D+01
               161           162           163           164           165 
      1   0.374930D-01 -0.264461D+01  0.732120D+00 -0.831018D+00 -0.664233D+00
      2   0.153797D+01 -0.278013D+00 -0.831018D+00  0.226041D+01  0.589950D+00
      3  -0.278013D+00  0.791615D+01 -0.664233D+00  0.589950D+00  0.261447D+00
               166           167           168           169           170 
      1  -0.140988D+01 -0.403427D+00  0.207916D+00 -0.953369D+00  0.178938D+00
      2  -0.403427D+00 -0.955987D+01 -0.245179D+01  0.178938D+00 -0.383028D+01
      3   0.207916D+00 -0.245179D+01 -0.170719D+01 -0.186419D+00 -0.288825D+01
               171           172           173           174           175 
      1  -0.186419D+00 -0.131418D+01 -0.992572D+00  0.143831D+01 -0.659598D+00
      2  -0.288825D+01 -0.992572D+00 -0.239168D+00  0.533450D+00 -0.122085D+01
      3  -0.147832D+01  0.143831D+01  0.533450D+00 -0.844120D+00  0.635191D+00
               176           177           178           179           180 
      1  -0.122085D+01  0.635191D+00  0.290350D+01  0.196528D+01 -0.162732D+01
      2  -0.430989D+01  0.224600D+01  0.196528D+01  0.460600D+01 -0.480058D+01
      3   0.224600D+01 -0.179938D+01 -0.162732D+01 -0.480058D+01  0.714495D+01
               181           182           183           184           185 
      1  -0.191912D+00  0.308047D+00  0.822502D+00 -0.328610D+00  0.467872D+00
      2   0.308047D+00  0.743930D+00  0.208651D+00  0.467872D+00  0.224495D+00
      3   0.822502D+00  0.208651D+00  0.122222D+01  0.422434D-01  0.596468D+00
               186           187           188           189           190 
      1   0.422434D-01  0.122990D+01 -0.353133D+00 -0.680017D-01 -0.113442D+02
      2   0.596468D+00 -0.353133D+00  0.162579D+01  0.143461D+01  0.424656D+01
      3  -0.112707D+00 -0.680017D-01  0.143461D+01  0.744706D+01 -0.376811D-01
               191           192           193           194           195 
      1   0.424656D+01 -0.376811D-01  0.195666D+01 -0.164478D+01  0.197469D-01
      2  -0.285827D+01 -0.204913D+00 -0.164478D+01  0.150162D+01 -0.324625D+00
      3  -0.204913D+00 -0.103954D+01  0.197469D-01 -0.324625D+00  0.155781D+00
               196           197           198           199           200 
      1  -0.105893D+01  0.378083D+00 -0.112460D+01  0.658125D+00  0.121817D+01
      2   0.378083D+00 -0.818250D+00  0.552378D+00  0.121817D+01  0.243024D+01
      3  -0.112460D+01  0.552378D+00  0.198544D+00 -0.607212D+00 -0.214360D+00
               201           202           203           204           205 
      1  -0.607212D+00  0.146206D+01  0.110375D+01 -0.347037D+00 -0.106403D+01
      2  -0.214360D+00  0.110375D+01  0.713118D+01 -0.141280D+01  0.362892D-01
      3   0.791250D+00 -0.347037D+00 -0.141280D+01  0.116787D+01  0.524331D+00
               206           207 
      1   0.362892D-01  0.524331D+00
      2  -0.247656D+01  0.128397D+01
      3   0.128397D+01 -0.546013D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830942D+00 -0.173282D+00 -0.438352D+01 -0.157023D+01  0.903749D-01
      2  -0.908443D+00 -0.155950D+01  0.477053D+01  0.129149D+01  0.232967D+01
      3  -0.411101D+01 -0.125901D+02  0.972524D+00  0.742027D+01 -0.126087D+01
                 6             7             8             9            10 
      1  -0.654142D+00 -0.768258D+01  0.526131D+01 -0.106648D+01 -0.303248D-01
      2   0.772614D+01  0.363652D+00  0.112217D+02 -0.303829D+01  0.676503D+00
      3  -0.118562D+01 -0.214285D+01 -0.273413D+01 -0.451798D+01  0.299203D+01
                11            12            13            14            15 
      1  -0.137365D+00  0.179182D+01  0.282699D+00  0.254528D+01  0.239880D+01
      2  -0.116715D+00  0.944970D+01  0.303792D+01 -0.136401D+01 -0.342662D+01
      3  -0.105167D+02  0.254404D+00  0.102151D+02  0.169771D+00  0.162485D+01
                16            17            18            19            20 
      1   0.369006D+01  0.106660D+02 -0.160889D+01 -0.157243D+00  0.153628D+00
      2   0.854783D+01 -0.513793D+01  0.348315D+01  0.225327D+01 -0.210267D+01
      3  -0.292420D+01  0.666694D+00  0.166852D+01  0.670610D+01 -0.500387D+01
                21            22            23            24            25 
      1   0.338685D+01  0.671847D+00  0.327478D+00 -0.367201D+01  0.219939D+01
      2  -0.239231D+01 -0.126403D+01 -0.232822D-01  0.348157D+01 -0.138641D+02
      3   0.188503D+01  0.566681D+01 -0.770954D+01 -0.753373D+00  0.354835D+01
                26            27            28            29            30 
      1   0.100757D+01  0.122149D+01 -0.305458D+00 -0.178673D+00  0.158992D+01
      2   0.427412D+01 -0.261253D+01  0.846440D+00  0.132968D+01 -0.234704D+01
      3  -0.130707D+01 -0.649916D+01 -0.341476D+01  0.113086D+02 -0.161056D+01
                31            32            33            34            35 
      1  -0.131214D+01  0.172385D+01 -0.440103D+00  0.225844D+01  0.100492D+02
      2   0.577598D+00 -0.979490D+00  0.256632D+00 -0.141402D+02  0.126286D+01
      3   0.117020D+02 -0.932745D+01  0.216595D+01  0.898826D+00  0.248705D+01
                36            37            38            39            40 
      1  -0.538370D+00  0.121020D+01  0.218394D+00 -0.132893D+01 -0.197689D+00
      2  -0.930688D+00  0.334462D+00 -0.605769D+00 -0.143966D+01 -0.308761D+01
      3  -0.236862D+01 -0.622959D+01  0.476347D+01 -0.584484D+00  0.109994D+02
                41            42            43            44            45 
      1   0.165638D+01 -0.926989D+00 -0.272591D+01  0.704828D+01 -0.261102D+00
      2   0.177444D+01 -0.101754D+01 -0.144314D+02 -0.586414D+00  0.454923D-01
      3   0.178873D+02 -0.212648D+01 -0.130576D+01 -0.994840D+00  0.373459D+01
                46            47            48            49            50 
      1  -0.125434D+01  0.392275D+00 -0.117230D+01 -0.388259D+00 -0.157453D+00
      2  -0.673681D-01 -0.408059D+00 -0.956644D+00 -0.142224D+01 -0.158583D+01
      3  -0.463399D+00 -0.131614D+02  0.124297D+01  0.888166D+00  0.408653D+01
                51            52            53            54            55 
      1  -0.341641D+01  0.240412D+01  0.175759D+01  0.222405D+00  0.736988D+00
      2  -0.616215D+01 -0.939095D+01 -0.887676D+01  0.297422D+01  0.685198D+00
      3   0.956432D+00  0.122334D+01  0.113462D+01  0.665791D+01  0.373658D+01
                56            57            58            59            60 
      1   0.243028D+00 -0.247674D+01 -0.199029D+01  0.410192D+01 -0.549155D+00
      2  -0.196482D+00  0.464915D+00  0.377940D+00  0.458239D+01  0.730418D+00
      3  -0.284038D+00 -0.100984D+01  0.151731D+02  0.405114D+01 -0.542152D+01
                61            62            63            64            65 
      1  -0.467077D+01  0.764243D+01 -0.557327D+01 -0.355092D+00  0.233521D+00
      2  -0.893256D+01  0.153661D+01 -0.119037D+02 -0.954819D+01  0.752097D+00
      3   0.170360D+01 -0.705351D+01  0.124089D+01 -0.944683D+01 -0.992492D+01
                66            67            68            69            70 
      1   0.802663D-01  0.119921D+01 -0.124035D+01  0.804883D+00  0.133260D+01
      2   0.692311D+00 -0.673027D+00 -0.301497D+01  0.219257D+01 -0.868278D+01
      3  -0.328234D-01 -0.877290D+01  0.546252D+01  0.460432D+01 -0.128641D+01
                71            72            73            74            75 
      1   0.207377D+01 -0.195933D+00 -0.258308D+01 -0.214931D+00  0.150086D+01
      2  -0.253671D+01  0.198991D+02  0.672746D+00  0.458827D+00  0.624151D+01
      3   0.387305D+01  0.672511D+00  0.136149D+02 -0.406877D+01  0.238327D+01
                76            77            78            79            80 
      1   0.776734D+00 -0.369730D+00 -0.638502D+01 -0.446037D+01  0.187006D+01
      2   0.437440D+00  0.272602D+01 -0.226849D+01 -0.352067D+01  0.402424D+01
      3   0.778077D+01 -0.136772D+02 -0.478078D+01  0.583026D+01 -0.650849D+01
                81            82            83            84            85 
      1  -0.180233D+01  0.100852D+01 -0.516309D+01 -0.193483D+01 -0.332249D+01
      2   0.125841D+01  0.251394D+01 -0.735002D+00 -0.156033D+01  0.869536D+00
      3  -0.271196D+00 -0.778097D+01 -0.194510D+01 -0.106550D+01  0.715695D+01
                86            87            88            89            90 
      1   0.510205D+01  0.589884D+01  0.769062D+01  0.196343D+02 -0.128093D+02
      2  -0.106713D+01  0.961041D+00 -0.404033D+01 -0.236824D+01  0.576183D+00
      3   0.532766D+00  0.542067D+01 -0.190496D+00  0.101941D+02 -0.764598D+00
                91            92            93            94            95 
      1  -0.470972D-01 -0.293305D+00 -0.239651D+01  0.367519D+00  0.524499D-01
      2   0.312605D+00  0.212073D+00  0.366406D+01 -0.695232D+00 -0.677674D+00
      3  -0.248013D+01 -0.604639D+01  0.507610D-01 -0.493075D+01 -0.102921D+02
                96            97            98            99           100 
      1  -0.273427D+01  0.117690D+01  0.133521D+01  0.108610D+00  0.159840D+00
      2   0.331635D+01 -0.161938D+01 -0.103977D+01 -0.130984D+00  0.151614D+01
      3   0.607697D+00  0.112283D+01  0.152469D+01  0.100512D-01  0.261592D+01
               101           102           103           104           105 
      1   0.376056D+00  0.117486D+01  0.408898D-01 -0.896114D-01 -0.674519D+00
      2  -0.281524D+00  0.603046D+01 -0.130178D+01  0.606681D+00 -0.175723D+01
      3  -0.582722D+01  0.195058D+00 -0.486050D+01  0.318661D+01 -0.530562D+00
               106           107           108           109           110 
      1  -0.675269D+00  0.596468D+00  0.530348D-01 -0.312769D+00  0.166894D+00
      2  -0.259149D+01  0.488492D+00  0.260076D+00 -0.768981D+00  0.791438D+00
      3   0.167649D+01 -0.958020D+00  0.195001D+00 -0.603277D+01  0.488846D+01
               111           112           113           114           115 
      1   0.640291D+00  0.539927D+00 -0.100658D+01 -0.419679D+01 -0.456985D+00
      2  -0.327358D-01  0.110326D+01 -0.197267D+01  0.504826D+00 -0.147366D+01
      3  -0.471715D+00  0.836689D+01 -0.154295D+02  0.196040D+01 -0.724319D+00
               116           117           118           119           120 
      1   0.215082D+01  0.432565D+00  0.133832D+00 -0.175592D+00  0.130753D+01
      2   0.402107D+00  0.107037D+00  0.472440D+00 -0.478817D+00  0.109138D+01
      3   0.287750D+01 -0.250382D+00  0.144615D+01 -0.176657D+01  0.353378D+00
               121           122           123           124           125 
      1   0.423360D-01 -0.354371D+00 -0.449551D+01 -0.486306D-01  0.188479D+01
      2  -0.184131D+00  0.236515D+01 -0.266671D+01 -0.109890D+01  0.878445D-01
      3   0.477789D+00  0.173645D+02 -0.217816D+01  0.478452D+00 -0.217444D+01
               126           127           128           129           130 
      1   0.452286D+00  0.204419D+01  0.923460D+00  0.124655D+01  0.954913D+00
      2   0.276982D+00  0.781278D+00 -0.778810D+00  0.292027D+01 -0.950369D+00
      3  -0.966760D-02 -0.194823D+01 -0.352151D+01 -0.136968D+01 -0.192716D+01
               131           132           133           134           135 
      1  -0.351544D+00 -0.156627D+01  0.210213D+01  0.131590D+01  0.751826D+01
      2   0.482987D+00 -0.121674D+01  0.429294D+00 -0.112018D+01  0.121464D+02
      3   0.940136D+00 -0.136136D+01 -0.315164D+01 -0.870801D+00 -0.289005D+00
               136           137           138           139           140 
      1  -0.417693D+01 -0.154563D+01  0.494572D+01  0.586087D+00 -0.117512D+02
      2  -0.543328D+01  0.247975D+01  0.522513D+01  0.202588D+01 -0.482040D+01
      3   0.158358D+02 -0.198361D+02  0.300654D+01 -0.110728D+02 -0.995136D+01
               141           142           143           144           145 
      1  -0.169964D+01  0.255343D+01  0.463101D+01  0.143610D+02 -0.164693D+00
      2  -0.336807D+00  0.367254D+00  0.120793D+01  0.118750D+02  0.524965D+01
      3   0.755322D+01  0.215709D+01  0.751191D+01 -0.474110D+01  0.491543D+01
               146           147           148           149           150 
      1   0.315936D+00 -0.121106D-01 -0.936010D-01 -0.108595D+00 -0.708418D+00
      2  -0.767104D-01  0.623907D+01 -0.555682D+00  0.127190D+01 -0.404001D+00
      3  -0.723142D+01  0.541092D+00 -0.294140D+01  0.189449D+01 -0.153683D+01
               151           152           153           154           155 
      1  -0.543513D+00  0.893788D+00 -0.170578D+00  0.490856D-01  0.499519D+00
      2   0.403024D+01 -0.781373D-01  0.146221D+01 -0.236907D+01  0.126939D+00
      3   0.820369D+00 -0.341441D+01  0.443467D+00  0.133980D+01  0.119725D+01
               156           157           158           159           160 
      1  -0.445548D-01  0.871569D-02  0.231771D+00 -0.625028D+00 -0.747260D+00
      2   0.405369D+00  0.922093D+00 -0.297657D+01  0.559915D+00  0.233532D+01
      3  -0.365564D+00  0.183388D+01 -0.355978D+00  0.281096D+01 -0.900127D+00
               161           162           163           164           165 
      1   0.438481D+01  0.151923D+01 -0.146362D+01  0.182446D+01  0.105801D+01
      2   0.108409D+01 -0.203896D+02 -0.135561D+00 -0.667266D+00  0.917799D+00
      3   0.596375D+01  0.410070D+00 -0.267305D+01  0.148642D+01  0.277992D+01
               166           167           168           169           170 
      1  -0.169209D+00 -0.676942D+01 -0.664183D+01 -0.859589D+00 -0.646735D+01
      2  -0.561847D+00  0.149200D+01  0.464547D+00 -0.753090D+00  0.890441D+00
      3   0.534954D+01 -0.675896D+01 -0.295650D+01  0.397335D+01 -0.403824D+01
               171           172           173           174           175 
      1  -0.455362D+01  0.324007D+01  0.874669D+00 -0.196519D+01  0.164346D+01
      2   0.732804D+00  0.106300D+01  0.658410D+00  0.823275D+00  0.443320D+00
      3  -0.185376D+01  0.402193D+01  0.871507D+00 -0.338018D+01  0.177155D+01
               176           177           178           179           180 
      1   0.312911D+01 -0.509868D+01 -0.379986D+01 -0.824993D+01  0.172980D+02
      2  -0.650999D+00  0.892832D+00 -0.227769D+01  0.133297D+01 -0.251825D+01
      3  -0.146288D+01  0.197651D-01 -0.767468D+01 -0.213301D+01 -0.425641D+00
               181           182           183           184           185 
      1  -0.175515D+01  0.550461D+00 -0.301316D+01  0.207069D+00 -0.168884D+01
      2  -0.252562D+01 -0.271878D+00 -0.203168D+01  0.240391D+00 -0.118983D+01
      3   0.770172D+00  0.188078D+01  0.227390D+01  0.142107D+01  0.130640D+01
               186           187           188           189           190 
      1  -0.373161D+00 -0.478789D+00  0.517400D+00 -0.184276D+02  0.866105D+00
      2   0.168974D+00 -0.371896D+01 -0.230573D+01 -0.141416D+02  0.384883D+01
      3   0.103053D+01  0.287343D+01  0.257420D+01  0.374225D+01 -0.202109D+02
               191           192           193           194           195 
      1  -0.291785D+00  0.328474D+01 -0.460139D+00  0.135706D+01 -0.122944D+01
      2  -0.670786D+00  0.509193D+01 -0.101397D+01  0.114019D+01 -0.848832D+00
      3   0.629997D+00 -0.842184D+00  0.327679D+01 -0.163999D+00 -0.103561D+01
               196           197           198           199           200 
      1   0.214887D+01 -0.401281D+00 -0.566223D+00  0.232603D+01  0.140135D+01
      2   0.127977D+01 -0.825567D+00 -0.363210D+00  0.922624D+00 -0.187541D+00
      3  -0.156733D+01 -0.127135D+01 -0.124128D+01  0.812467D+01  0.780594D+01
               201           202           203           204           205 
      1  -0.327956D+01  0.179005D+01  0.589826D+01 -0.575223D+01 -0.173495D+01
      2  -0.530218D+00  0.383039D+00  0.155143D+01 -0.115070D+01 -0.189224D+01
      3  -0.286965D+01  0.100805D+02  0.181873D+02 -0.448345D+01 -0.443858D+01
               206           207 
      1  -0.271051D+01  0.205019D+01
      2  -0.161756D+01  0.527210D+00
      3  -0.534930D+01  0.445715D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.896401D-01 -0.208245D+02  0.171952D+01  0.293774D+02  0.266159D+01
      2  -0.398134D+01  0.139314D+02  0.197691D+01 -0.299272D+02 -0.793576D+01
      3   0.407098D+01  0.689308D+01 -0.369643D+01  0.549835D+00  0.527416D+01
      4  -0.204930D+02  0.116023D+02 -0.370016D+01  0.789790D+00 -0.178731D+02
      5   0.440176D+00 -0.402121D+01  0.107662D+02  0.342084D+01  0.781193D+01
      6  -0.150122D+01 -0.907243D+00  0.967452D+01  0.602340D+01  0.311397D+01
                 6             7             8             9            10 
      1   0.534123D+00 -0.844800D+01 -0.174715D+01  0.742339D+01 -0.831699D+01
      2  -0.128876D+01  0.911093D+01  0.364828D+01 -0.128034D+02  0.260206D+01
      3   0.754642D+00 -0.662930D+00 -0.190113D+01  0.538001D+01  0.571492D+01
      4   0.771964D+01  0.178319D+00  0.714943D+01  0.153035D+02  0.890851D+01
      5   0.160760D+02  0.278898D+02  0.168929D+02 -0.630049D+01 -0.642423D+01
      6   0.287128D+01  0.956946D+01  0.125312D+02  0.128800D+01  0.760080D+00
                11            12            13            14            15 
      1   0.541351D+01 -0.468017D+01 -0.161233D+02 -0.220752D+02  0.553095D+01
      2  -0.166745D+01  0.148912D+01  0.156435D+02  0.226762D+02 -0.700065D+01
      3  -0.374606D+01  0.319105D+01  0.479825D+00 -0.601014D+00  0.146970D+01
      4   0.233612D+02  0.727069D+00 -0.232509D+02  0.133612D+02 -0.490780D+01
      5   0.419005D+00  0.204365D+02  0.883556D+01 -0.633738D+01 -0.725689D+01
      6  -0.568467D+00 -0.409962D+01 -0.437013D+01 -0.286660D+01 -0.502926D+01
                16            17            18            19            20 
      1  -0.256669D+01  0.708626D+01  0.161573D+02  0.104309D+02  0.474817D+01
      2  -0.177881D+01 -0.528941D+01 -0.203128D+02 -0.718852D+01 -0.657714D+01
      3   0.434550D+01 -0.179684D+01  0.415548D+01 -0.324236D+01  0.182897D+01
      4   0.104015D+02 -0.171645D+01 -0.388699D+01  0.954961D+01 -0.238774D+02
      5   0.374121D+02 -0.662232D+01  0.713512D+01 -0.146632D+01  0.288664D+01
      6  -0.259298D+01  0.604739D+01  0.295539D+01  0.769075D+00 -0.159676D+01
                21            22            23            24            25 
      1   0.882789D+00  0.654485D+01  0.606529D+01 -0.374418D+01 -0.450641D+00
      2  -0.197600D+01  0.883390D+00 -0.125432D+02  0.534340D+01 -0.363697D+00
      3   0.109321D+01 -0.742824D+01  0.647795D+01 -0.159922D+01  0.814338D+00
      4   0.296567D+01  0.174099D+02  0.105730D+02  0.517940D+00 -0.263529D+01
      5  -0.596286D+01 -0.272070D+01  0.103019D+01  0.516012D+01  0.181576D+01
      6  -0.692606D+01 -0.157443D+01  0.792653D+01  0.765822D+01 -0.598399D+00
                26            27            28            29            30 
      1  -0.212974D+01 -0.142787D+02 -0.341909D+02  0.936269D+01 -0.826438D+00
      2   0.665065D+01  0.144185D+01  0.165269D+02 -0.255711D+01  0.305229D+00
      3  -0.452091D+01  0.128368D+02  0.176639D+02 -0.680558D+01  0.521210D+00
      4  -0.127569D+01  0.993915D+01 -0.906094D+01  0.634253D+01 -0.290020D+01
      5   0.984395D+01 -0.619968D+01  0.491844D+01 -0.212987D+01 -0.211083D+01
      6   0.147925D+02 -0.373820D+01 -0.211595D+01  0.266427D+00 -0.195775D+01
                31            32            33            34            35 
      1   0.108622D+02 -0.694533D+00 -0.152534D+01 -0.593505D+01 -0.133213D+01
      2  -0.358875D+01  0.601859D+01  0.303175D+00  0.288049D+01  0.283658D+01
      3  -0.727349D+01 -0.532406D+01  0.122217D+01  0.305456D+01 -0.150445D+01
      4  -0.716335D+01  0.620363D+01 -0.275561D+01  0.167632D+01 -0.417436D+01
      5   0.419197D+00 -0.163294D+01 -0.593171D+00  0.167808D+01  0.720491D+00
      6  -0.144757D+01 -0.249245D+00 -0.202734D+00 -0.192407D+01  0.453294D+01
                36            37            38            39            40 
      1  -0.106544D+02 -0.127594D+02 -0.263696D+02  0.400091D+01 -0.160329D+02
      2  -0.213357D+01  0.122030D+02  0.184964D+02 -0.323070D+01  0.487137D+01
      3   0.127880D+02  0.556418D+00  0.787322D+01 -0.770208D+00  0.111615D+02
      4  -0.137541D+01 -0.856459D+01 -0.881273D-01 -0.720787D+00  0.156208D+01
      5  -0.315831D+00 -0.115083D+01 -0.252191D+01 -0.193735D+01 -0.548573D+00
      6  -0.675953D+00 -0.314544D+01 -0.233615D+01  0.251790D+01  0.144724D+01
                41            42            43            44            45 
      1  -0.120900D+02 -0.114674D+01  0.210317D+01 -0.356290D+01 -0.144923D+02
      2   0.124999D+02 -0.972602D+00 -0.294162D+01  0.343321D+01  0.278608D+01
      3  -0.409902D+00  0.211934D+01  0.838455D+00  0.129685D+00  0.117062D+02
      4  -0.103375D+02  0.665992D+00  0.925254D+00 -0.242080D+01 -0.120174D+01
      5  -0.265922D+00 -0.614726D+00  0.102041D+01 -0.261821D+01 -0.100082D+01
      6  -0.453600D+00  0.125695D+01  0.258278D+01  0.110487D+02 -0.749821D+00
                46            47            48            49            50 
      1   0.121351D+02  0.200951D+02  0.709129D-01 -0.213578D+02  0.143478D+02
      2  -0.115101D+02 -0.146887D+02  0.146117D+01  0.187035D+02 -0.231723D+02
      3  -0.624951D+00 -0.540632D+01 -0.153209D+01  0.265434D+01  0.882454D+01
      4   0.964606D+01 -0.175202D+02  0.397474D+01  0.113379D+02  0.794270D+00
      5  -0.167263D+00  0.534697D+01 -0.353591D+01 -0.394150D+00 -0.341526D+01
      6   0.400947D+01 -0.153217D+01  0.137724D+01 -0.311750D+01  0.783018D+01
                51            52            53            54            55 
      1  -0.227534D+01  0.402459D+01  0.181854D+01 -0.547741D+01  0.209910D+02
      2   0.499861D+01 -0.558500D+01  0.304099D+01 -0.500387D+01 -0.710898D+01
      3  -0.272327D+01  0.156040D+01 -0.485953D+01  0.104813D+02 -0.138820D+02
      4  -0.387187D+01  0.213210D+01 -0.699596D+01 -0.147553D+02 -0.508404D+01
      5  -0.121429D+02  0.100616D+02 -0.153234D+02  0.543795D+01 -0.189136D+01
      6   0.772289D+01 -0.494894D+01  0.135703D+02 -0.103946D+01  0.304719D+01
                56            57            58            59            60 
      1  -0.144625D+02  0.135691D+01 -0.185357D+02 -0.119278D+01  0.393777D+01
      2   0.125845D+02  0.171515D+00  0.173087D+02 -0.268332D+01 -0.813817D+01
      3   0.187808D+01 -0.152842D+01  0.122693D+01  0.387609D+01  0.420040D+01
      4  -0.900877D+01  0.231011D+01 -0.152479D+02  0.107703D+02  0.788014D+01
      5   0.259817D+01 -0.791224D+01  0.273951D+01  0.830593D+01  0.329571D+01
      6   0.206554D+01  0.491987D+01  0.360496D+01 -0.858984D+01 -0.490973D+01
                61            62            63            64            65 
      1   0.121895D+02  0.142065D+01  0.736327D+01 -0.519020D+02  0.993100D+01
      2   0.645104D+01 -0.131901D+02  0.640725D+01  0.287722D+02 -0.737652D+01
      3  -0.186405D+02  0.117695D+02 -0.137705D+02  0.231298D+02 -0.255448D+01
      4  -0.128948D+00  0.997997D+01  0.888688D+01  0.934718D+01  0.644630D+01
      5  -0.128210D+02  0.698143D+01 -0.302498D+02 -0.150594D+02  0.392677D+00
      6   0.965609D+01 -0.459832D+01  0.166579D+02 -0.950645D+00 -0.160846D+01
                66            67            68            69            70 
      1  -0.108275D+02  0.209581D+02  0.129688D+02 -0.754144D-02 -0.160354D+02
      2   0.595446D+01 -0.143890D+02 -0.142686D+02  0.321263D+01  0.304606D+01
      3   0.487299D+01 -0.656911D+01  0.129977D+01 -0.320509D+01  0.129894D+02
      4  -0.224792D-01  0.123598D+01 -0.130472D+01 -0.677166D+01 -0.215284D+01
      5  -0.188037D+01 -0.411036D+01 -0.743797D+01  0.598512D+01 -0.110267D+02
      6   0.370883D-01 -0.255696D+01 -0.173855D+01 -0.446181D+01 -0.270708D+01
                71            72            73            74            75 
      1   0.113366D+01  0.481878D+00  0.266761D+02  0.834420D+01  0.563703D+00
      2  -0.141340D+00  0.142271D+02 -0.149717D+02 -0.466468D+01 -0.202672D+01
      3  -0.992324D+00 -0.147089D+02 -0.117044D+02 -0.367952D+01  0.146301D+01
      4  -0.309001D+01 -0.422782D+01  0.147664D+02  0.139160D+02  0.669670D+01
      5  -0.262456D+01  0.376025D+02  0.818601D+01  0.379112D+01  0.105144D+02
      6  -0.728659D+00  0.327362D+01  0.625500D+01  0.555719D+01 -0.471667D+01
                76            77            78            79            80 
      1  -0.803378D+01 -0.120534D+02 -0.224507D+01  0.102818D+02 -0.966408D+00
      2   0.838122D+01  0.210322D+02  0.854719D+00 -0.679763D+01  0.262726D+01
      3  -0.347432D+00 -0.897876D+01  0.139036D+01 -0.348417D+01 -0.166085D+01
      4   0.133473D+02  0.188691D+02  0.671050D+01  0.676150D+01  0.737314D+01
      5   0.417169D+01  0.609460D+01 -0.424143D+01  0.114391D+02  0.745799D+01
      6   0.738894D+00  0.609791D+01  0.110798D+02  0.678191D+01  0.126657D+02
                81            82            83            84            85 
      1  -0.765157D+01 -0.118967D+02 -0.769610D+01 -0.379011D+01  0.108327D+02
      2  -0.404608D+01  0.842232D+01  0.145695D+02  0.656351D+01 -0.668504D+01
      3   0.116977D+02  0.347442D+01 -0.687336D+01 -0.277340D+01 -0.414766D+01
      4   0.991838D+01  0.657709D-01 -0.520144D+01 -0.325387D+01  0.102310D+01
      5   0.184453D+01 -0.567725D+00 -0.882670D+00 -0.731400D+01  0.261382D+01
      6   0.303543D+01 -0.192141D+01  0.574528D+01  0.409850D+01  0.767438D+01
                86            87            88            89            90 
      1   0.385538D+02  0.244536D+01 -0.176495D+02 -0.593247D+01  0.294158D+02
      2  -0.434110D+02 -0.100843D+02  0.128590D+02 -0.774494D+01 -0.192122D+02
      3   0.485724D+01  0.763889D+01  0.479052D+01  0.136774D+02 -0.102036D+02
      4   0.212925D+01  0.404567D+01  0.328727D+01  0.578973D+01 -0.896226D+01
      5   0.323563D+01 -0.298843D+01 -0.592815D+01 -0.975285D+01  0.922487D+01
      6  -0.770462D+01 -0.174000D+02 -0.122741D+02 -0.366300D+02  0.290117D+02
                91            92            93            94            95 
      1   0.399099D+02  0.215870D+02 -0.180317D+01  0.177205D+02  0.121947D+02
      2  -0.135663D+02 -0.406662D+01  0.822437D+00  0.132029D+01  0.768587D+01
      3  -0.263436D+02 -0.175204D+02  0.980728D+00 -0.190408D+02 -0.198806D+02
      4   0.440031D+02  0.338760D+02 -0.215672D+01  0.399440D+02  0.422381D+02
      5  -0.336158D+01 -0.198029D+01  0.672885D+01 -0.396830D+01 -0.364293D+01
      6  -0.467537D+00 -0.378133D+00  0.318022D+01 -0.179250D+01 -0.178982D+01
                96            97            98            99           100 
      1  -0.138443D+01  0.949129D-02 -0.507090D+00  0.502827D+00  0.100915D+03
      2   0.435272D+00 -0.946555D+00 -0.641501D+00  0.807373D+00 -0.569196D+02
      3   0.949160D+00  0.937064D+00  0.114859D+01 -0.131020D+01 -0.439950D+02
      4  -0.357100D+01 -0.277883D+01 -0.350082D+01  0.275089D+01 -0.261485D+02
      5   0.519861D+01  0.173821D+01  0.108245D+01 -0.561029D+00  0.105033D+02
      6   0.462512D+01  0.107366D+01  0.154640D+01 -0.820303D+00  0.207574D+00
               101           102           103           104           105 
      1  -0.181676D+02  0.681148D+01 -0.175029D+02  0.126870D+02 -0.225728D+01
      2   0.927498D+01 -0.456999D+01  0.805055D+01 -0.560231D+01  0.163550D+01
      3   0.889264D+01 -0.224150D+01  0.945236D+01 -0.708467D+01  0.621784D+00
      4   0.133604D+02 -0.178840D+01  0.205105D+02 -0.957059D+01  0.183894D+01
      5  -0.196951D+01  0.102823D+02 -0.411808D+01  0.209136D+01 -0.265556D+01
      6   0.340555D+00 -0.131085D+01  0.108234D+01 -0.458900D+00  0.193707D+01
               106           107           108           109           110 
      1   0.823951D+01 -0.295683D+01  0.311066D+01 -0.407765D+01  0.505339D+01
      2  -0.458158D+01  0.176458D+01 -0.162337D+01  0.564185D+01 -0.471463D+01
      3  -0.365794D+01  0.119225D+01 -0.148729D+01 -0.156420D+01 -0.338757D+00
      4  -0.418417D+01  0.191902D+01 -0.176133D+01 -0.968120D+00  0.672619D+01
      5   0.285378D+01 -0.672287D+00  0.139140D+01 -0.529819D+00 -0.102948D+00
      6  -0.487039D+00  0.698040D+00 -0.582016D+00 -0.106797D+01  0.146754D+01
               111           112           113           114           115 
      1  -0.130600D+01  0.498145D+01 -0.342007D+02  0.573939D+01 -0.858635D+00
      2   0.641525D+00 -0.537456D+01  0.472245D+02 -0.560495D+01  0.669994D+00
      3   0.664473D+00  0.393117D+00 -0.130238D+02 -0.134445D+00  0.188641D+00
      4  -0.479976D+00  0.523417D+01  0.133049D+02 -0.261464D+01 -0.519701D+00
      5   0.888026D+00 -0.193795D+00 -0.342101D+01  0.164419D+01  0.548651D+00
      6  -0.775863D+00  0.530434D+00 -0.997916D+01  0.780404D+01 -0.244758D+00
               116           117           118           119           120 
      1   0.566779D+01 -0.261111D+01  0.313708D+01 -0.351239D+01  0.367360D+00
      2  -0.687659D+01  0.297590D+01  0.288747D+01 -0.350117D+01  0.902568D-01
      3   0.120880D+01 -0.364785D+00 -0.602455D+01  0.701356D+01 -0.457617D+00
      4  -0.172364D+01 -0.747287D+00 -0.134342D+02  0.180683D+02 -0.272515D+01
      5  -0.538700D-01  0.434475D+00  0.219460D+01 -0.282811D+01  0.305193D+01
      6   0.410100D+01 -0.240432D+01 -0.165235D+01  0.209177D+01 -0.200880D+01
               121           122           123           124           125 
      1   0.694239D+00 -0.200564D+02  0.279419D+01  0.511023D-01  0.197065D+01
      2  -0.870819D+01  0.405054D+02 -0.365729D+01  0.118074D+01 -0.388394D+01
      3   0.801395D+01 -0.204490D+02  0.863096D+00 -0.123184D+01  0.191329D+01
      4   0.202473D+02 -0.458069D+02  0.580745D+01 -0.387230D+01  0.676891D+01
      5  -0.280168D+01  0.588244D+01 -0.479019D+01  0.147655D+01 -0.179188D+01
      6   0.277948D+01 -0.859391D+01  0.786198D+01 -0.174564D+01  0.432708D+01
               126           127           128           129           130 
      1  -0.221191D+01  0.287962D+01  0.135217D+01  0.259874D+01  0.305418D+01
      2   0.314695D+01 -0.654298D+01 -0.139941D+01 -0.406658D+01 -0.336012D+01
      3  -0.935036D+00  0.366336D+01  0.472340D-01  0.146784D+01  0.305944D+00
      4  -0.226703D+01 -0.234388D+01  0.601486D+01 -0.355313D+01  0.821036D+01
      5   0.120852D+01  0.904735D+01 -0.235945D+01  0.133644D+02 -0.212354D+01
      6  -0.250764D+01 -0.446411D+01  0.892670D+00 -0.326806D+01  0.199150D+01
               131           132           133           134           135 
      1  -0.422868D+01  0.176689D+01 -0.232031D+01  0.430358D+01 -0.158075D+02
      2   0.178295D+01 -0.952284D+00 -0.768776D+01  0.637523D-01 -0.174256D+02
      3   0.244573D+01 -0.814610D+00  0.100081D+02 -0.436733D+01  0.332331D+02
      4  -0.639509D+01  0.395224D+01 -0.679827D+01  0.599001D+01 -0.641073D+01
      5   0.367809D+01 -0.308034D+01  0.179115D+02 -0.624802D+01  0.323485D+02
      6  -0.251470D+01  0.896037D+01 -0.802448D+01  0.745140D+01 -0.198798D+02
               136           137           138           139           140 
      1  -0.340306D+02  0.290160D+02 -0.161936D+01  0.245553D+02  0.856746D+01
      2   0.704772D+01 -0.268964D+02  0.571593D+01 -0.257783D+02 -0.125440D+02
      3   0.269829D+02 -0.211956D+01 -0.409658D+01  0.122298D+01  0.397650D+01
      4   0.419656D+02 -0.790684D+01  0.232032D+01  0.443422D+01 -0.134119D+02
      5  -0.188805D+00 -0.215287D+01  0.665422D+01 -0.107661D+01 -0.117214D+02
      6   0.504547D+01 -0.419135D+00 -0.827610D+01 -0.231874D+01  0.187310D+02
               141           142           143           144           145 
      1  -0.109233D+02 -0.317862D+01 -0.101330D+02  0.141519D+02  0.820223D+02
      2   0.171216D+02  0.402277D+00  0.214657D+02  0.373485D+01 -0.466996D+02
      3  -0.619831D+01  0.277635D+01 -0.113327D+02 -0.178868D+02 -0.353227D+02
      4  -0.796582D+01  0.710678D+01 -0.121317D+02 -0.837340D+01  0.369531D+00
      5  -0.936632D-01  0.688549D+01 -0.102427D+01  0.171165D+02  0.116933D+02
      6   0.287251D+01 -0.809451D+01  0.131514D+01 -0.239739D+02  0.962008D+00
               146           147           148           149           150 
      1  -0.407181D+01  0.100389D+02 -0.975493D+01  0.746570D+01 -0.635452D+00
      2   0.275370D+01 -0.586640D+01  0.575821D+01 -0.273005D+01  0.968287D+00
      3   0.131811D+01 -0.417251D+01  0.399672D+01 -0.473565D+01 -0.332834D+00
      4   0.931720D+01  0.146071D+00  0.121065D+02 -0.223267D+01  0.266057D+01
      5  -0.256927D+00  0.104388D+02 -0.107722D+01  0.302939D+01 -0.685823D+00
      6   0.422030D+00  0.317361D+00  0.545881D+00  0.231029D+00  0.152808D+01
               151           152           153           154           155 
      1   0.166401D+02 -0.100410D+01  0.886370D+01  0.788815D+01 -0.238091D+00
      2  -0.105379D+02  0.936796D+00 -0.789525D+01 -0.667648D+01  0.796490D-01
      3  -0.610221D+01  0.673049D-01 -0.968449D+00 -0.121167D+01  0.158442D+00
      4  -0.301803D+00  0.405974D+01  0.143942D+00  0.716858D+00 -0.684578D+00
      5   0.146625D+02 -0.484729D+00  0.447685D+01 -0.572246D+01 -0.307520D+00
      6   0.520056D+00  0.962696D+00 -0.572117D-01 -0.877058D+00 -0.646702D-01
               156           157           158           159           160 
      1  -0.486730D+01 -0.189460D+00 -0.331392D+01  0.155193D+01 -0.706468D+01
      2   0.301314D+01  0.409460D+00  0.464294D+00 -0.654846D+00  0.104602D+02
      3   0.185416D+01 -0.220001D+00  0.284963D+01 -0.897081D+00 -0.339547D+01
      4  -0.104763D+01  0.284892D+01  0.121044D+01 -0.528244D+01 -0.170136D+01
      5   0.434321D+01 -0.161925D+00 -0.516722D+01  0.111606D+01  0.181039D+02
      6   0.343300D+00 -0.157248D+01 -0.162843D+01  0.713842D+01  0.218308D+01
               161           162           163           164           165 
      1   0.607186D+00 -0.468024D+01 -0.167066D+01  0.928006D+01  0.370766D+01
      2  -0.718880D+00 -0.202899D+02  0.432172D+01 -0.133886D+02 -0.353063D+01
      3   0.111693D+00  0.249701D+02 -0.265106D+01  0.410853D+01 -0.177031D+00
      4  -0.771535D+01  0.310584D+01 -0.258310D+01  0.907770D+01  0.337222D+01
      5   0.160577D+01 -0.392742D+02 -0.917746D-01  0.126755D+01  0.259929D+01
      6   0.421016D+01 -0.626177D+01  0.436288D+01 -0.434794D+01 -0.194610D+01
               166           167           168           169           170 
      1  -0.185545D+00 -0.405663D+02 -0.105740D+02  0.216500D+01 -0.167577D+02
      2   0.105399D+00  0.596665D+02  0.154488D+02 -0.825156D+00  0.230306D+02
      3   0.801466D-01 -0.191001D+02 -0.487474D+01 -0.133984D+01 -0.627298D+01
      4   0.639132D+01  0.189980D+01 -0.262381D+00  0.384706D+01  0.468183D+00
      5   0.697062D+00  0.125471D+01  0.149640D+01  0.237526D+01  0.239989D+01
      6  -0.532423D+00  0.191281D+02  0.131158D+02  0.179864D+01  0.205725D+02
               171           172           173           174           175 
      1  -0.134563D+02 -0.172988D+00  0.234727D+00  0.274979D+00 -0.321164D+01
      2   0.130185D+02 -0.149328D+01 -0.720944D+00  0.439001D+00  0.380196D+01
      3   0.437743D+00  0.166626D+01  0.486216D+00 -0.713980D+00 -0.590319D+00
      4   0.815421D+00  0.517464D+01  0.696682D+01 -0.599938D+01  0.410953D+01
      5  -0.665867D-01 -0.431975D+01 -0.377938D+01  0.803805D+01 -0.209644D+01
      6   0.103227D+02 -0.751539D+01 -0.369222D+01  0.441462D+01 -0.422394D+01
               176           177           178           179           180 
      1  -0.195925D+02  0.939172D+01  0.534125D+01  0.217887D+02 -0.275965D+02
      2   0.207449D+02 -0.861357D+01 -0.292717D+01 -0.143051D+02  0.859602D+01
      3  -0.115248D+01 -0.778150D+00 -0.241408D+01 -0.748358D+01  0.190005D+02
      4   0.619699D+01 -0.442451D+01 -0.937048D+01 -0.824782D+01  0.805927D+01
      5  -0.436649D+01  0.358857D+01  0.782649D+01  0.908912D+01 -0.122258D+02
      6  -0.148854D+02  0.151385D+02  0.958914D+01  0.310196D+02 -0.389505D+02
               181           182           183           184           185 
      1   0.917702D+00 -0.498228D+01 -0.550171D+01 -0.175818D+01 -0.475103D+01
      2  -0.183753D+01  0.525933D+01  0.301706D+00  0.180038D+01  0.302784D+01
      3   0.919830D+00 -0.277054D+00  0.520000D+01 -0.421991D-01  0.172319D+01
      4  -0.178337D+01  0.539956D+00  0.329086D+01 -0.780917D-01  0.145852D+01
      5  -0.142013D+01  0.416877D+00  0.683496D+00 -0.320318D+00 -0.106313D+01
      6   0.315777D+01  0.187312D+01  0.565436D+01  0.231146D+00  0.256113D+01
               186           187           188           189           190 
      1  -0.187885D+01 -0.392019D+01 -0.643241D+01 -0.202120D+02  0.540879D+02
      2   0.338132D+01  0.874015D+00  0.557318D+01 -0.835217D+01 -0.173414D+02
      3  -0.150246D+01  0.304617D+01  0.859234D+00  0.285641D+02 -0.367465D+02
      4  -0.154882D+01  0.660295D+01 -0.569849D+01  0.468947D+00 -0.575735D+02
      5   0.605648D+00  0.523498D+01 -0.460998D+01 -0.221427D+02 -0.524657D+01
      6   0.487788D+01 -0.277724D+00  0.111058D+02  0.340425D+02  0.197107D+00
               191           192           193           194           195 
      1  -0.129033D+02  0.169538D+01 -0.571826D+01  0.347129D+01  0.902413D+00
      2  -0.287522D+01 -0.659567D+00 -0.351218D+01  0.576557D+01 -0.183415D+01
      3   0.157785D+02 -0.103581D+01  0.923044D+01 -0.923686D+01  0.931733D+00
      4   0.303671D+02 -0.208132D+00  0.184771D+02 -0.136137D+02  0.106171D+01
      5   0.224763D+01  0.891311D+01  0.888208D+00  0.597307D+00 -0.159904D+01
      6  -0.195912D+01 -0.627511D+01 -0.788071D+00 -0.939500D+00  0.207270D+01
               196           197           198           199           200 
      1   0.338742D+01  0.973059D+00  0.332684D+01 -0.270342D+01 -0.147051D+02
      2  -0.102074D+01 -0.333358D+01 -0.258853D+01  0.732293D+01  0.199029D+02
      3  -0.236667D+01  0.236052D+01 -0.738313D+00 -0.461951D+01 -0.519784D+01
      4  -0.421184D+01  0.337874D+01 -0.542396D+01  0.887616D+00  0.207625D+01
      5   0.940245D+01 -0.367434D+01 -0.279335D+00  0.141463D+01  0.126892D+01
      6  -0.564046D+01  0.365318D+01  0.109132D+01 -0.309455D+01 -0.131164D+01
               201           202           203           204           205 
      1   0.218543D+01 -0.941881D+01 -0.333491D+02  0.710754D+01  0.346827D+01
      2  -0.354583D+01  0.107700D+02  0.541581D+02 -0.111112D+02 -0.246753D+01
      3   0.136040D+01 -0.135123D+01 -0.208090D+02  0.400368D+01 -0.100073D+01
      4  -0.190484D+01  0.665485D+01 -0.110997D+02  0.190550D+01 -0.426322D+01
      5  -0.159288D+01  0.192580D+01  0.546006D+01 -0.342429D+01 -0.426353D+00
      6   0.502599D+01 -0.156515D+01 -0.788463D+01  0.893837D+01  0.316886D+01
               206           207 
      1   0.979657D+01 -0.863870D+01
      2  -0.158414D+02  0.757387D+01
      3   0.604487D+01  0.106484D+01
      4   0.581424D+01  0.992838D-03
      5  -0.320977D+01  0.118473D+01
      6   0.957699D+01 -0.469475D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:24:16 2021, MaxMem= 10737418240 cpu:           49165.6 elap:            3076.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47698 -10.48590 -10.48056 -10.44998 -10.44837
 Alpha  occ. eigenvalues --  -10.44559 -10.44264 -10.44202 -10.44146 -10.44078
 Alpha  occ. eigenvalues --  -10.43292  -1.18317  -1.01051  -0.95034  -0.91075
 Alpha  occ. eigenvalues --   -0.87795  -0.83899  -0.78165  -0.75838  -0.72177
 Alpha  occ. eigenvalues --   -0.68378  -0.64078  -0.61950  -0.59738  -0.58801
 Alpha  occ. eigenvalues --   -0.55911  -0.55412  -0.53563  -0.53342  -0.50611
 Alpha  occ. eigenvalues --   -0.49479  -0.48504  -0.48235  -0.46884  -0.45457
 Alpha  occ. eigenvalues --   -0.42940  -0.41723  -0.36725  -0.34590  -0.33831
 Alpha virt. eigenvalues --   -0.01158  -0.00559  -0.00293   0.00343   0.00990
 Alpha virt. eigenvalues --    0.01263   0.02121   0.02259   0.03317   0.03420
 Alpha virt. eigenvalues --    0.03599   0.05234   0.05677   0.05991   0.06266
 Alpha virt. eigenvalues --    0.07166   0.08099   0.08297   0.09095   0.09194
 Alpha virt. eigenvalues --    0.10394   0.10747   0.10770   0.11484   0.11800
 Alpha virt. eigenvalues --    0.12014   0.12274   0.12508   0.13010   0.13182
 Alpha virt. eigenvalues --    0.13414   0.13752   0.14007   0.14590   0.14694
 Alpha virt. eigenvalues --    0.14810   0.15328   0.15836   0.16618   0.16954
 Alpha virt. eigenvalues --    0.17722   0.18659   0.18967   0.19455   0.20449
 Alpha virt. eigenvalues --    0.22249   0.22733   0.23466   0.23694   0.24640
 Alpha virt. eigenvalues --    0.25204   0.25476   0.26527   0.26730   0.27389
 Alpha virt. eigenvalues --    0.28162   0.28343   0.28461   0.29054   0.29833
 Alpha virt. eigenvalues --    0.30319   0.30851   0.31398   0.32111   0.32720
 Alpha virt. eigenvalues --    0.33103   0.33354   0.33854   0.34096   0.34500
 Alpha virt. eigenvalues --    0.35032   0.35886   0.36504   0.37059   0.37611
 Alpha virt. eigenvalues --    0.38338   0.38925   0.39572   0.39667   0.40828
 Alpha virt. eigenvalues --    0.41488   0.41740   0.42918   0.43434   0.43996
 Alpha virt. eigenvalues --    0.44315   0.45354   0.45837   0.46880   0.47418
 Alpha virt. eigenvalues --    0.47913   0.48976   0.49055   0.49758   0.50378
 Alpha virt. eigenvalues --    0.50489   0.51104   0.51963   0.52536   0.52947
 Alpha virt. eigenvalues --    0.53584   0.54432   0.54972   0.55605   0.56481
 Alpha virt. eigenvalues --    0.57127   0.57346   0.57717   0.58286   0.58904
 Alpha virt. eigenvalues --    0.59514   0.60183   0.60245   0.60763   0.61954
 Alpha virt. eigenvalues --    0.62186   0.62390   0.62604   0.63609   0.63871
 Alpha virt. eigenvalues --    0.64773   0.65219   0.65978   0.66877   0.67622
 Alpha virt. eigenvalues --    0.68095   0.68440   0.69024   0.69839   0.69988
 Alpha virt. eigenvalues --    0.71225   0.71478   0.72286   0.72529   0.72857
 Alpha virt. eigenvalues --    0.74058   0.74393   0.75152   0.76081   0.76711
 Alpha virt. eigenvalues --    0.77808   0.79156   0.79532   0.79883   0.80348
 Alpha virt. eigenvalues --    0.81051   0.82109   0.82773   0.83320   0.83787
 Alpha virt. eigenvalues --    0.84598   0.85635   0.86030   0.86195   0.87099
 Alpha virt. eigenvalues --    0.87960   0.88455   0.89497   0.90796   0.91463
 Alpha virt. eigenvalues --    0.92606   0.94023   0.94294   0.95270   0.97188
 Alpha virt. eigenvalues --    0.97999   0.99375   1.00444   1.01143   1.02579
 Alpha virt. eigenvalues --    1.03739   1.05260   1.05576   1.07245   1.07257
 Alpha virt. eigenvalues --    1.08924   1.10338   1.13377   1.14406   1.15861
 Alpha virt. eigenvalues --    1.17236   1.18157   1.20215   1.20789   1.22468
 Alpha virt. eigenvalues --    1.22755   1.24414   1.27737   1.30393   1.31642
 Alpha virt. eigenvalues --    1.35253   1.36497   1.37680   1.38331   1.39981
 Alpha virt. eigenvalues --    1.42414   1.44841   1.45133   1.46051   1.46566
 Alpha virt. eigenvalues --    1.47447   1.49311   1.49617   1.50703   1.52106
 Alpha virt. eigenvalues --    1.52828   1.53857   1.54708   1.56880   1.60207
 Alpha virt. eigenvalues --    1.60526   1.61497   1.61741   1.62817   1.63442
 Alpha virt. eigenvalues --    1.64209   1.67175   1.67988   1.68561   1.69579
 Alpha virt. eigenvalues --    1.69880   1.71763   1.72621   1.73505   1.74874
 Alpha virt. eigenvalues --    1.75652   1.77952   1.78085   1.78665   1.79792
 Alpha virt. eigenvalues --    1.80427   1.81096   1.82676   1.84617   1.85091
 Alpha virt. eigenvalues --    1.85871   1.87275   1.88544   1.89856   1.90481
 Alpha virt. eigenvalues --    1.91068   1.92435   1.94000   1.94464   1.95742
 Alpha virt. eigenvalues --    1.97675   1.98900   2.00497   2.01804   2.02545
 Alpha virt. eigenvalues --    2.04044   2.06228   2.06884   2.07803   2.08891
 Alpha virt. eigenvalues --    2.09751   2.11050   2.11406   2.12856   2.13598
 Alpha virt. eigenvalues --    2.14319   2.16372   2.16544   2.18608   2.20215
 Alpha virt. eigenvalues --    2.20992   2.21838   2.23164   2.24709   2.26438
 Alpha virt. eigenvalues --    2.26980   2.30698   2.32251   2.33234   2.35146
 Alpha virt. eigenvalues --    2.36682   2.38923   2.40245   2.42793   2.44037
 Alpha virt. eigenvalues --    2.45651   2.47624   2.50371   2.53070   2.54743
 Alpha virt. eigenvalues --    2.57129   2.58976   2.59304   2.60438   2.61942
 Alpha virt. eigenvalues --    2.64088   2.66495   2.66857   2.68767   2.71190
 Alpha virt. eigenvalues --    2.72530   2.74954   2.78463   2.81327   2.86575
 Alpha virt. eigenvalues --    2.89514   2.91183   2.93611   2.94000   2.98116
 Alpha virt. eigenvalues --    3.06994   3.09527   3.13984   3.17198   3.20194
 Alpha virt. eigenvalues --    3.26642   3.52406   3.55099   3.57267   3.61992
 Alpha virt. eigenvalues --    3.68687   3.80097   3.83433   3.91574   3.95009
 Alpha virt. eigenvalues --    4.57056
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   21.713251  -9.455068 -11.496655   4.772010  -7.982486   9.253692
     2  C   -9.455068  19.201677   9.590861  -8.341691   5.544478 -10.073398
     3  C  -11.496655   9.590861  47.622733 -21.879366   5.084014 -14.283162
     4  C    4.772010  -8.341691 -21.879366  45.108424 -18.729569   4.128209
     5  C   -7.982486   5.544478   5.084014 -18.729569  40.918403 -15.961909
     6  C    9.253692 -10.073398 -14.283162   4.128209 -15.961909  38.044368
     7  C   -0.117405  -0.270497  -7.196380   0.762489  -6.067744   0.190409
     8  C    0.005784  -0.030231  -0.630386  -0.945471   0.263448  -0.006176
     9  O    0.010504  -0.024610  -0.065396  -0.159757  -0.012452   0.013556
    10  C    0.002178  -0.042723   1.352740  -1.953563   1.284681  -3.989370
    11  H   -1.798374   0.922447   0.975790  -0.143195  -0.043327  -0.202037
    12  H    0.967101  -1.717059  -0.181061  -0.048522  -0.241260   0.936764
    13  H    0.546497  -0.281812  -3.204434   2.117731  -0.295972   0.107331
    14  H   -0.381946   0.701566   0.177744  -0.105660   1.749446  -2.641677
    15  H   -0.106546   0.049569   0.430086   0.674566   0.416993  -0.040893
    16  C    0.044201  -0.033080  -0.687756  -0.224655   0.005871   0.139343
    17  H    0.012302  -0.006919  -0.009829   0.231042  -0.068861  -0.035986
    18  H   -0.026874   0.016458  -0.032242   0.127877  -0.151288   0.133492
    19  H   -0.005636   0.057313  -0.054429   0.079375  -0.000985   0.173373
    20  H    0.010505  -0.034765   0.019580   0.004598   0.202076  -0.155273
    21  H    0.004524   0.010899   0.128478  -0.194620   0.096029  -0.021289
    22  H    0.003335   0.003520   0.017299   0.397823  -0.081484  -0.007240
    23  H    0.080108  -0.033593  -0.210300  -0.212545  -0.060934   0.030650
               7          8          9         10         11         12
     1  C   -0.117405   0.005784   0.010504   0.002178  -1.798374   0.967101
     2  C   -0.270497  -0.030231  -0.024610  -0.042723   0.922447  -1.717059
     3  C   -7.196380  -0.630386  -0.065396   1.352740   0.975790  -0.181061
     4  C    0.762489  -0.945471  -0.159757  -1.953563  -0.143195  -0.048522
     5  C   -6.067744   0.263448  -0.012452   1.284681  -0.043327  -0.241260
     6  C    0.190409  -0.006176   0.013556  -3.989370  -0.202037   0.936764
     7  C   20.212140   0.433119   0.162173  -1.454314   0.040482  -0.033103
     8  C    0.433119   6.469589   0.349660  -0.796584   0.001149   0.002902
     9  O    0.162173   0.349660   8.300582   0.142235   0.000209   0.000186
    10  C   -1.454314  -0.796584   0.142235  10.801396  -0.020988   0.040996
    11  H    0.040482   0.001149   0.000209  -0.020988   2.050946  -0.073001
    12  H   -0.033103   0.002902   0.000186   0.040996  -0.073001   2.011409
    13  H   -0.120209   0.080146  -0.000137  -0.001337  -0.133568  -0.032030
    14  H    0.027567   0.027781   0.001185  -0.023775  -0.032209  -0.115268
    15  H   -1.763517  -0.149409  -0.001755   0.145759  -0.003460   0.001435
    16  C    0.556337   0.200657  -0.032635  -0.271403   0.015055  -0.000390
    17  H    0.102832  -0.205664  -0.211278   0.011471   0.000400  -0.000163
    18  H   -0.273296  -0.010469  -0.008267   0.230738   0.000798   0.000352
    19  H   -0.012164   0.004007  -0.134268  -0.255812   0.000394  -0.000585
    20  H    0.068629  -0.005206   0.021179   0.116806  -0.000701   0.000772
    21  H   -0.153491  -0.118341  -0.007206  -0.010541   0.001597   0.000271
    22  H   -0.381906   0.083937   0.004473   0.011333   0.000719   0.000173
    23  H    0.835331  -0.112979  -0.003698   0.010107  -0.000523  -0.001138
              13         14         15         16         17         18
     1  C    0.546497  -0.381946  -0.106546   0.044201   0.012302  -0.026874
     2  C   -0.281812   0.701566   0.049569  -0.033080  -0.006919   0.016458
     3  C   -3.204434   0.177744   0.430086  -0.687756  -0.009829  -0.032242
     4  C    2.117731  -0.105660   0.674566  -0.224655   0.231042   0.127877
     5  C   -0.295972   1.749446   0.416993   0.005871  -0.068861  -0.151288
     6  C    0.107331  -2.641677  -0.040893   0.139343  -0.035986   0.133492
     7  C   -0.120209   0.027567  -1.763517   0.556337   0.102832  -0.273296
     8  C    0.080146   0.027781  -0.149409   0.200657  -0.205664  -0.010469
     9  O   -0.000137   0.001185  -0.001755  -0.032635  -0.211278  -0.008267
    10  C   -0.001337  -0.023775   0.145759  -0.271403   0.011471   0.230738
    11  H   -0.133568  -0.032209  -0.003460   0.015055   0.000400   0.000798
    12  H   -0.032030  -0.115268   0.001435  -0.000390  -0.000163   0.000352
    13  H    2.966679   0.020011   0.025772   0.152087   0.001118   0.004276
    14  H    0.020011   2.346882  -0.004251   0.004417   0.000399   0.001421
    15  H    0.025772  -0.004251   1.957437  -0.286255  -0.206683   0.143968
    16  C    0.152087   0.004417  -0.286255   5.120409   0.137983  -0.203791
    17  H    0.001118   0.000399  -0.206683   0.137983   2.159202  -0.601955
    18  H    0.004276   0.001421   0.143968  -0.203791  -0.601955   2.039466
    19  H   -0.005464  -0.012780   0.011481   0.019611   0.004824   0.017196
    20  H   -0.002050   0.010630   0.002167  -0.016692   0.008918  -0.040830
    21  H   -0.028499  -0.001142   0.086077   0.360205   0.000295  -0.032071
    22  H    0.033764   0.000321  -0.005121   0.107002  -0.020909   0.024866
    23  H   -0.121003  -0.000138  -0.148685   0.088129   0.026486  -0.021742
              19         20         21         22         23
     1  C   -0.005636   0.010505   0.004524   0.003335   0.080108
     2  C    0.057313  -0.034765   0.010899   0.003520  -0.033593
     3  C   -0.054429   0.019580   0.128478   0.017299  -0.210300
     4  C    0.079375   0.004598  -0.194620   0.397823  -0.212545
     5  C   -0.000985   0.202076   0.096029  -0.081484  -0.060934
     6  C    0.173373  -0.155273  -0.021289  -0.007240   0.030650
     7  C   -0.012164   0.068629  -0.153491  -0.381906   0.835331
     8  C    0.004007  -0.005206  -0.118341   0.083937  -0.112979
     9  O   -0.134268   0.021179  -0.007206   0.004473  -0.003698
    10  C   -0.255812   0.116806  -0.010541   0.011333   0.010107
    11  H    0.000394  -0.000701   0.001597   0.000719  -0.000523
    12  H   -0.000585   0.000772   0.000271   0.000173  -0.001138
    13  H   -0.005464  -0.002050  -0.028499   0.033764  -0.121003
    14  H   -0.012780   0.010630  -0.001142   0.000321  -0.000138
    15  H    0.011481   0.002167   0.086077  -0.005121  -0.148685
    16  C    0.019611  -0.016692   0.360205   0.107002   0.088129
    17  H    0.004824   0.008918   0.000295  -0.020909   0.026486
    18  H    0.017196  -0.040830  -0.032071   0.024866  -0.021742
    19  H    1.663702  -0.390085   0.001228   0.000750   0.002021
    20  H   -0.390085   1.174201   0.002497  -0.001921   0.001368
    21  H    0.001228   0.002497   1.791443  -0.413916  -0.292519
    22  H    0.000750  -0.001921  -0.413916   1.891672  -0.492879
    23  H    0.002021   0.001368  -0.292519  -0.492879   1.871193
 Mulliken charges:
               1
     1  C   -0.055002
     2  C    0.246657
     3  C    0.532072
     4  C    0.534471
     5  C    0.132833
     6  C    0.267222
     7  C    0.452520
     8  C    1.088738
     9  O   -0.344483
    10  C    0.669970
    11  H   -0.558604
    12  H   -0.518782
    13  H   -0.828896
    14  H   -0.750522
    15  H   -0.228734
    16  C    0.805349
    17  H   -0.329026
    18  H   -0.338079
    19  H   -0.163067
    20  H    0.003596
    21  H   -0.209907
    22  H   -0.175611
    23  H   -0.232715
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.613606
     2  C   -0.272124
     3  C   -0.296823
     4  C    0.534471
     5  C    0.132833
     6  C   -0.483301
     7  C    0.223785
     8  C    0.421633
     9  O   -0.344483
    10  C    0.510499
    16  C    0.187116
 Electronic spatial extent (au):  <R**2>=           1674.7674
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.4020    Y=              0.9138    Z=              0.7639  Tot=              1.2571
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2159   YY=            -62.4726   ZZ=            -69.3399
   XY=             -4.2187   XZ=             -1.1990   YZ=             -2.7379
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7936   YY=              2.5369   ZZ=             -4.3304
   XY=             -4.2187   XZ=             -1.1990   YZ=             -2.7379
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.9533  YYY=             -6.1134  ZZZ=             -0.4049  XYY=              9.5779
  XXY=              8.5052  XXZ=              2.8888  XZZ=             -9.7197  YZZ=             -2.2416
  YYZ=             -0.2472  XYZ=              2.0796
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1249.0341 YYYY=           -786.9835 ZZZZ=           -130.7353 XXXY=            -10.0091
 XXXZ=              9.4243 YYYX=              0.2993 YYYZ=             -6.8676 ZZZX=              1.1458
 ZZZY=              1.0117 XXYY=           -365.3037 XXZZ=           -264.8797 YYZZ=           -163.2464
 XXYZ=            -11.6560 YYXZ=             -3.8821 ZZXY=              0.9533
 N-N= 6.057646973284D+02 E-N=-2.287877479574D+03  KE= 4.603361687793D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:24:17 2021, MaxMem= 10737418240 cpu:               8.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3926   -0.3949       -1.3279   -1.3183
 2      0.3926    0.3949        2.3283    2.3286       -8.1833   -8.1814
 3      1.3279    1.3183       32.3379   32.3390       -2.3367   -2.3286
 4     -2.3283   -2.3286        0.0000    0.0000        1.3204    1.3183
 5    -24.1546  -24.1576       -1.3204   -1.3183       -0.4046   -0.3949
 6      2.3367    2.3286        0.4046    0.3949        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1846    1.1846       -3.9548   -3.9548
 2     -6.9857   -6.9857        0.0000    0.0000       -3.9548   -3.9548
 3     -6.9857   -6.9857        1.1846    1.1846       -0.0000    0.0000
 4      1.1846    1.1846        6.9857    6.9857      -24.5441  -24.5441
 5      3.9548    3.9548       97.0170   97.0170       -6.9857   -6.9857
 6    -72.4729  -72.4729       -3.9548   -3.9548       -1.1846   -1.1846
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2053    0.0000        1.5234    1.5795        5.0447    5.2730
 2     -0.8420   -1.5795       -9.4536   -9.3142       32.7359   32.7254
 3     -5.0489   -5.2730     -129.0890 -129.3560        9.0729    9.3142
 4      9.3320    9.3142       -0.2045    0.0000       -5.2952   -5.2730
 5     96.6036   96.6306        5.0356    5.2730        0.9221    1.5795
 6     -9.5329   -9.3142       -1.7045   -1.5795       -0.1626    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1886    0.0000       -3.4991   -3.5211       -5.7612   -5.8047
 2      3.3480    3.5211      -47.4830  -48.2051       33.0794   32.1784
 3      4.9344    5.8047        9.2018    9.7939       49.7755   48.2051
 4     48.2786   48.2051       -0.3162    0.0000        5.4629    5.8047
 5    -43.3456  -41.9723       -4.4690   -5.8047       -3.6476   -3.5211
 6    -48.7829  -48.2051        4.4068    3.5211        0.6207    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.5603   -9.4414      -37.7226  -37.6647        4.7565    4.4733
 2     73.6624   73.6186      -34.5854  -33.5877        4.0319    4.4733
 3     73.3044   73.6186      -38.4007  -37.6647        7.3423    7.7052
 4     -3.9628   -4.0770      -82.2792  -83.0600       24.0170   24.2012
 5      1.6676    3.2319       29.7377   29.3135       84.2025   83.0600
 6    -54.9102  -53.5147       -2.7876   -3.2319        2.9018    4.0770
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.0611                 2.5736                 1.7322
  Dep-P Fr= 1--      0.7493                 0.7360                 0.6881
  Dep-U Fr= 1--      0.8567                 0.8479                 0.8152
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0019
 Beta2  Fr= 1--      0.2943                 0.3637                 0.2354
 AlphaG Fr= 1--     -0.0004                -0.0018                 0.0030
 Gamma2 Fr= 1--      0.9370                 0.2650                 0.3270
 Delta2 Fr= 1--      0.1109                 0.1383                 0.2992
 Raman1 Fr= 1--       8.245                 10.294                  6.929
 ROA1   Fr= 1--      93.499                 29.866                 40.968
 CID1   Fr= 1--      11.341                  2.901                  5.913
 Raman2 Fr= 1--       3.532                  4.365                  2.824
 ROA2   Fr= 1--      21.601                  5.254                  5.456
 CID2   Fr= 1--       6.117                  1.204                  1.932
 Raman3 Fr= 1--       7.063                  8.729                  5.649
 ROA3   Fr= 1--      93.499                 29.866                 40.968
 CID3   Fr= 1--      13.237                  3.421                  7.253
 RC180  Fr= 1--       0.713                  0.696                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7837                 0.3698                 0.3507
  Dep-P Fr= 1--      0.7352                 0.2656                 0.3251
  Dep-U Fr= 1--      0.8474                 0.4197                 0.4907
 Alpha2 Fr= 1--      0.0002                 0.0042                 0.0033
 Beta2  Fr= 1--      0.1107                 0.0259                 0.0287
 AlphaG Fr= 1--      0.0011                -0.0033                 0.0090
 Gamma2 Fr= 1--     -0.1946                -0.2165                -0.2234
 Delta2 Fr= 1--     -0.0552                 0.0365                -0.0601
 Raman1 Fr= 1--       3.135                  1.479                  1.403
 ROA1   Fr= 1--     -20.452                -19.614                -23.364
 CID1   Fr= 1--      -6.524                -13.262                -16.655
 Raman2 Fr= 1--       1.328                  0.310                  0.344
 ROA2   Fr= 1--      -4.229                 -5.487                 -4.880
 CID2   Fr= 1--      -3.185                -17.680                -14.179
 Raman3 Fr= 1--       2.656                  0.621                  0.688
 ROA3   Fr= 1--     -20.452                -19.614                -23.364
 CID3   Fr= 1--      -7.700                -31.600                -33.944
 RC180  Fr= 1--       0.695                 -0.161                 -0.019
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      2.0306                 0.4106                 3.4642
  Dep-P Fr= 1--      0.0979                 0.4354                 0.6427
  Dep-U Fr= 1--      0.1784                 0.6066                 0.7825
 Alpha2 Fr= 1--      0.0357                 0.0027                 0.0067
 Beta2  Fr= 1--      0.0604                 0.0415                 0.4518
 AlphaG Fr= 1--      0.0174                 0.0007                -0.0115
 Gamma2 Fr= 1--     -0.4679                 0.2496                 0.7434
 Delta2 Fr= 1--     -0.1594                 0.0793                 0.4929
 Raman1 Fr= 1--       8.122                  1.642                 13.857
 ROA1   Fr= 1--     -50.019                 26.502                 87.135
 CID1   Fr= 1--      -6.158                 16.137                  6.288
 Raman2 Fr= 1--       0.724                  0.498                  5.421
 ROA2   Fr= 1--      -9.955                  5.356                 13.898
 CID2   Fr= 1--     -13.741                 10.752                  2.563
 Raman3 Fr= 1--       1.449                  0.996                 10.843
 ROA3   Fr= 1--     -50.019                 26.502                 87.135
 CID3   Fr= 1--     -34.522                 26.602                  8.036
 RC180  Fr= 1--      -0.643                  0.213                  0.565
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3573                 2.7344                10.2989
  Dep-P Fr= 1--      0.4304                 0.6887                 0.0632
  Dep-U Fr= 1--      0.6018                 0.8157                 0.1189
 Alpha2 Fr= 1--      0.0090                 0.0029                 0.1971
 Beta2  Fr= 1--      0.1361                 0.3717                 0.2040
 AlphaG Fr= 1--     -0.0047                -0.0019                -0.0247
 Gamma2 Fr= 1--      1.1597                -1.6378                -1.0485
 Delta2 Fr= 1--      0.1512                -0.3095                -0.1772
 Raman1 Fr= 1--       5.429                 10.938                 41.196
 ROA1   Fr= 1--     116.170               -167.135               -106.328
 CID1   Fr= 1--      21.397                -15.281                 -2.581
 Raman2 Fr= 1--       1.634                  4.461                  2.449
 ROA2   Fr= 1--      26.623                -36.832                -23.747
 CID2   Fr= 1--      16.297                 -8.257                 -9.699
 Raman3 Fr= 1--       3.267                  8.921                  4.897
 ROA3   Fr= 1--     116.170               -167.135               -106.328
 CID3   Fr= 1--      35.556                -18.734                -21.712
 RC180  Fr= 1--       0.204                  0.631                 -0.762
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      2.4009                 2.7233                12.3043
  Dep-P Fr= 1--      0.3445                 0.5060                 0.0673
  Dep-U Fr= 1--      0.5125                 0.6720                 0.1261
 Alpha2 Fr= 1--      0.0215                 0.0131                 0.2332
 Beta2  Fr= 1--      0.2051                 0.3050                 0.2586
 AlphaG Fr= 1--      0.0109                 0.0054                 0.0401
 Gamma2 Fr= 1--      0.9516                -0.2291                -0.6127
 Delta2 Fr= 1--      0.2772                -0.3122                 0.0412
 Raman1 Fr= 1--       9.604                 10.893                 49.217
 ROA1   Fr= 1--     100.223                -31.981                -57.506
 CID1   Fr= 1--      10.436                 -2.936                 -1.168
 Raman2 Fr= 1--       2.461                  3.660                  3.104
 ROA2   Fr= 1--      20.621                 -3.000                -15.035
 CID2   Fr= 1--       8.380                 -0.819                 -4.844
 Raman3 Fr= 1--       4.921                  7.321                  6.207
 ROA3   Fr= 1--     100.223                -31.981                -57.506
 CID3   Fr= 1--      20.365                 -4.369                 -9.264
 RC180  Fr= 1--       0.025                  0.344                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.5217                 3.3128                 4.2449
  Dep-P Fr= 1--      0.1156                 0.2766                 0.1651
  Dep-U Fr= 1--      0.2073                 0.4333                 0.2834
 Alpha2 Fr= 1--      0.0930                 0.0364                 0.0631
 Beta2  Fr= 1--      0.1907                 0.2392                 0.2005
 AlphaG Fr= 1--     -0.0008                 0.0190                -0.0223
 Gamma2 Fr= 1--      0.2080                -0.8747                 0.4592
 Delta2 Fr= 1--      0.1652                 0.0215                 0.1619
 Raman1 Fr= 1--      22.087                 13.251                 16.980
 ROA1   Fr= 1--      25.254                -83.286                 49.266
 CID1   Fr= 1--       1.143                 -6.285                  2.902
 Raman2 Fr= 1--       2.289                  2.871                  2.406
 ROA2   Fr= 1--       3.671                -21.166                  9.726
 CID2   Fr= 1--       1.604                 -7.373                  4.043
 Raman3 Fr= 1--       4.578                  5.742                  4.811
 ROA3   Fr= 1--      25.254                -83.286                 49.266
 CID3   Fr= 1--       5.516                -14.506                 10.240
 RC180  Fr= 1--      -0.585                 -0.133                 -0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.6088                 1.0836                 0.3274
  Dep-P Fr= 1--      0.7323                 0.4284                 0.5525
  Dep-U Fr= 1--      0.8455                 0.5998                 0.7118
 Alpha2 Fr= 1--      0.0002                 0.0072                 0.0012
 Beta2  Fr= 1--      0.0858                 0.1083                 0.0388
 AlphaG Fr= 1--     -0.0003                 0.0160                 0.0029
 Gamma2 Fr= 1--      0.0600                 0.6997                 0.0500
 Delta2 Fr= 1--      0.1391                 0.5108                -0.0944
 Raman1 Fr= 1--       2.435                  4.334                  1.310
 ROA1   Fr= 1--      10.207                 83.515                  1.777
 CID1   Fr= 1--       4.192                 19.268                  1.357
 Raman2 Fr= 1--       1.029                  1.300                  0.466
 ROA2   Fr= 1--       0.327                 12.706                  1.954
 CID2   Fr= 1--       0.317                  9.775                  4.192
 Raman3 Fr= 1--       2.059                  2.600                  0.932
 ROA3   Fr= 1--      10.207                 83.515                  1.777
 CID3   Fr= 1--       4.958                 32.124                  1.906
 RC180  Fr= 1--       0.691                  0.200                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.6254                 0.2809                 1.8982
  Dep-P Fr= 1--      0.3315                 0.1682                 0.4348
  Dep-U Fr= 1--      0.4979                 0.2880                 0.6061
 Alpha2 Fr= 1--      0.0058                 0.0041                 0.0124
 Beta2  Fr= 1--      0.0519                 0.0135                 0.1917
 AlphaG Fr= 1--     -0.0085                 0.0093                -0.0147
 Gamma2 Fr= 1--     -0.3852                 0.1434                -0.0018
 Delta2 Fr= 1--     -0.2740                -0.1424                 0.0977
 Raman1 Fr= 1--       2.502                  1.124                  7.593
 ROA1   Fr= 1--     -45.751                  9.212                  2.951
 CID1   Fr= 1--     -18.288                  8.198                  0.389
 Raman2 Fr= 1--       0.623                  0.162                  2.301
 ROA2   Fr= 1--      -7.054                  4.581                 -0.826
 CID2   Fr= 1--     -11.325                 28.315                 -0.359
 Raman3 Fr= 1--       1.246                  0.324                  4.602
 ROA3   Fr= 1--     -45.751                  9.212                  2.951
 CID3   Fr= 1--     -36.727                 28.470                  0.641
 RC180  Fr= 1--      -0.004                 -0.424                  0.212
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.4597                 6.6134                39.0411
  Dep-P Fr= 1--      0.3501                 0.2267                 0.0400
  Dep-U Fr= 1--      0.5186                 0.3696                 0.0769
 Alpha2 Fr= 1--      0.0304                 0.0836                 0.7897
 Beta2  Fr= 1--      0.2990                 0.4074                 0.5007
 AlphaG Fr= 1--     -0.0278                 0.0114                 0.1716
 Gamma2 Fr= 1--     -0.3478                 1.4717                -1.9182
 Delta2 Fr= 1--     -0.1483                -0.2424                -1.9214
 Raman1 Fr= 1--      13.839                 26.454                156.165
 ROA1   Fr= 1--     -38.130                133.526               -245.636
 CID1   Fr= 1--      -2.755                  5.048                 -1.573
 Raman2 Fr= 1--       3.589                  4.889                  6.008
 ROA2   Fr= 1--      -7.160                 37.260                -30.667
 CID2   Fr= 1--      -1.995                  7.622                 -5.104
 Raman3 Fr= 1--       7.177                  9.777                 12.016
 ROA3   Fr= 1--     -38.130                133.526               -245.636
 CID3   Fr= 1--      -5.313                 13.657                -20.443
 RC180  Fr= 1--       0.037                 -0.261                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      3.9244                 2.7703                 0.7488
  Dep-P Fr= 1--      0.3805                 0.7405                 0.7157
  Dep-U Fr= 1--      0.5513                 0.8509                 0.8343
 Alpha2 Fr= 1--      0.0311                 0.0004                 0.0004
 Beta2  Fr= 1--      0.3606                 0.3929                 0.1041
 AlphaG Fr= 1--      0.0695                 0.0067                -0.0028
 Gamma2 Fr= 1--     -0.3718                -0.3164                 0.2776
 Delta2 Fr= 1--      1.1980                -0.4023                 0.0677
 Raman1 Fr= 1--      15.697                 11.081                  2.995
 ROA1   Fr= 1--       2.640                -43.245                 28.819
 CID1   Fr= 1--       0.168                 -3.903                  9.622
 Raman2 Fr= 1--       4.327                  4.714                  1.249
 ROA2   Fr= 1--     -18.508                 -4.375                  6.121
 CID2   Fr= 1--      -4.278                 -0.928                  4.899
 Raman3 Fr= 1--       8.654                  9.429                  2.499
 ROA3   Fr= 1--       2.640                -43.245                 28.819
 CID3   Fr= 1--       0.305                 -4.586                 11.533
 RC180  Fr= 1--       0.103                  0.702                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.2567                 6.0016                 0.9062
  Dep-P Fr= 1--      0.6771                 0.6523                 0.7486
  Dep-U Fr= 1--      0.8074                 0.7896                 0.8562
 Alpha2 Fr= 1--      0.0016                 0.0105                 0.0000
 Beta2  Fr= 1--      0.1691                 0.7898                 0.1293
 AlphaG Fr= 1--      0.0136                -0.0020                -0.0005
 Gamma2 Fr= 1--     -0.1838                -0.2782                -0.8215
 Delta2 Fr= 1--     -0.8212                -0.3825                -0.2651
 Raman1 Fr= 1--       5.027                 24.006                  3.625
 ROA1   Fr= 1--     -43.924                -38.947                -87.353
 CID1   Fr= 1--      -8.738                 -1.622                -24.098
 Raman2 Fr= 1--       2.029                  9.478                  1.552
 ROA2   Fr= 1--       2.159                 -3.616                -17.596
 CID2   Fr= 1--       1.064                 -0.382                -11.339
 Raman3 Fr= 1--       4.059                 18.955                  3.104
 ROA3   Fr= 1--     -43.924                -38.947                -87.353
 CID3   Fr= 1--     -10.822                 -2.055                -28.145
 RC180  Fr= 1--       0.615                  0.579                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     32.5145                 5.7306                 1.2387
  Dep-P Fr= 1--      0.0758                 0.2438                 0.7437
  Dep-U Fr= 1--      0.1410                 0.3920                 0.8530
 Alpha2 Fr= 1--      0.6037                 0.0691                 0.0001
 Beta2  Fr= 1--      0.7639                 0.3744                 0.1761
 AlphaG Fr= 1--      0.0109                 0.0002                 0.0024
 Gamma2 Fr= 1--      1.6994                 3.0441                -1.1469
 Delta2 Fr= 1--      0.6869                 1.6954                 0.4439
 Raman1 Fr= 1--     130.058                 22.922                  4.955
 ROA1   Fr= 1--     185.124                346.487                -95.900
 CID1   Fr= 1--       1.423                 15.116                -19.355
 Raman2 Fr= 1--       9.167                  4.493                  2.113
 ROA2   Fr= 1--      35.290                 59.496                -31.078
 CID2   Fr= 1--       3.850                 13.243                -14.707
 Raman3 Fr= 1--      18.334                  8.985                  4.226
 ROA3   Fr= 1--     185.124                346.487                -95.900
 CID3   Fr= 1--      10.097                 38.563                -22.691
 RC180  Fr= 1--      -0.718                 -0.216                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      7.7287                 8.8657                 4.6737
  Dep-P Fr= 1--      0.3491                 0.6397                 0.2245
  Dep-U Fr= 1--      0.5175                 0.7802                 0.3666
 Alpha2 Fr= 1--      0.0681                 0.0177                 0.0594
 Beta2  Fr= 1--      0.6666                 1.1529                 0.2856
 AlphaG Fr= 1--     -0.0320                 0.0109                 0.0775
 Gamma2 Fr= 1--     -0.5215                 2.1320                -0.2618
 Delta2 Fr= 1--      0.0783                -1.3198                -0.7779
 Raman1 Fr= 1--      30.915                 35.463                 18.695
 ROA1   Fr= 1--     -47.552                162.439                -50.030
 CID1   Fr= 1--      -1.538                  4.581                 -2.676
 Raman2 Fr= 1--       7.999                 13.835                  3.427
 ROA2   Fr= 1--     -13.141                 61.727                 -0.061
 CID2   Fr= 1--      -1.643                  4.462                 -0.018
 Raman3 Fr= 1--      15.999                 27.670                  6.854
 ROA3   Fr= 1--     -47.552                162.439                -50.030
 CID3   Fr= 1--      -2.972                  5.871                 -7.299
 RC180  Fr= 1--       0.035                  0.560                 -0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      6.0234                 2.5610                 1.1062
  Dep-P Fr= 1--      0.3189                 0.4689                 0.3042
  Dep-U Fr= 1--      0.4835                 0.6384                 0.4665
 Alpha2 Fr= 1--      0.0583                 0.0145                 0.0112
 Beta2  Fr= 1--      0.4854                 0.2725                 0.0860
 AlphaG Fr= 1--      0.0337                -0.0399                 0.0288
 Gamma2 Fr= 1--      1.4057                 0.9919                -0.1302
 Delta2 Fr= 1--      0.9024                 0.8769                -0.0559
 Raman1 Fr= 1--      24.094                 10.244                  4.425
 ROA1   Fr= 1--     163.821                123.286                -14.284
 CID1   Fr= 1--       6.799                 12.035                 -3.228
 Raman2 Fr= 1--       5.825                  3.270                  1.032
 ROA2   Fr= 1--      26.517                 16.791                 -2.677
 CID2   Fr= 1--       4.552                  5.135                 -2.594
 Raman3 Fr= 1--      11.650                  6.540                  2.064
 ROA3   Fr= 1--     163.821                123.286                -14.284
 CID3   Fr= 1--      14.062                 18.852                 -6.920
 RC180  Fr= 1--      -0.033                  0.277                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.5365                 2.5509                13.5460
  Dep-P Fr= 1--      0.3612                 0.3732                 0.6750
  Dep-U Fr= 1--      0.5308                 0.5436                 0.8060
 Alpha2 Fr= 1--      0.0215                 0.0207                 0.0180
 Beta2  Fr= 1--      0.2244                 0.2311                 1.8197
 AlphaG Fr= 1--      0.0359                -0.0263                -0.0334
 Gamma2 Fr= 1--     -0.5056                -1.5275                -1.9549
 Delta2 Fr= 1--     -0.0344                 2.6709                -2.6281
 Raman1 Fr= 1--      10.146                 10.203                 54.184
 ROA1   Fr= 1--     -49.639                -61.169               -271.772
 CID1   Fr= 1--      -4.892                 -5.995                 -5.016
 Raman2 Fr= 1--       2.692                  2.773                 21.836
 ROA2   Fr= 1--     -11.860                -58.027                -25.893
 CID2   Fr= 1--      -4.405                -20.925                 -1.186
 Raman3 Fr= 1--       5.385                  5.546                 43.673
 ROA3   Fr= 1--     -49.639                -61.169               -271.772
 CID3   Fr= 1--      -9.218                -11.029                 -6.223
 RC180  Fr= 1--       0.062                  0.087                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.8853                 6.2151                 6.6392
  Dep-P Fr= 1--      0.6219                 0.5360                 0.6215
  Dep-U Fr= 1--      0.7669                 0.6979                 0.7666
 Alpha2 Fr= 1--      0.0044                 0.0257                 0.0156
 Beta2  Fr= 1--      0.2410                 0.7229                 0.8482
 AlphaG Fr= 1--     -0.0038                -0.0343                -0.0297
 Gamma2 Fr= 1--     -0.6852                 4.9998                -0.1467
 Delta2 Fr= 1--     -0.9337                 1.1232                -0.6686
 Raman1 Fr= 1--       7.541                 24.860                 26.557
 ROA1   Fr= 1--     -95.658                515.922                -35.476
 CID1   Fr= 1--     -12.685                 20.753                 -1.336
 Raman2 Fr= 1--       2.892                  8.675                 10.179
 ROA2   Fr= 1--      -8.975                111.009                  1.828
 CID2   Fr= 1--      -3.104                 12.796                  0.180
 Raman3 Fr= 1--       5.783                 17.351                 20.358
 ROA3   Fr= 1--     -95.658                515.922                -35.476
 CID3   Fr= 1--     -16.540                 29.735                 -1.743
 RC180  Fr= 1--       0.534                  0.396                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.6751                12.8803                26.8347
  Dep-P Fr= 1--      0.7486                 0.4808                 0.7317
  Dep-U Fr= 1--      0.8562                 0.6494                 0.8451
 Alpha2 Fr= 1--      0.0000                 0.0694                 0.0084
 Beta2  Fr= 1--      0.0963                 1.3940                 3.7795
 AlphaG Fr= 1--     -0.0002                -0.0036                 0.0013
 Gamma2 Fr= 1--     -2.3581                -0.4245                 0.6277
 Delta2 Fr= 1--      0.3372                 0.5195                -1.7923
 Raman1 Fr= 1--       2.700                 51.521                107.339
 ROA1   Fr= 1--    -215.582                -24.123                  2.905
 CID1   Fr= 1--     -79.835                 -0.468                  0.027
 Raman2 Fr= 1--       1.156                 16.728                 45.354
 ROA2   Fr= 1--     -59.291                -14.343                 29.404
 CID2   Fr= 1--     -51.289                 -0.857                  0.648
 Raman3 Fr= 1--       2.312                 33.456                 90.708
 ROA3   Fr= 1--    -215.582                -24.123                  2.905
 CID3   Fr= 1--     -93.244                 -0.721                  0.032
 RC180  Fr= 1--       0.712                  0.299                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    149.2112               163.2566               118.4383
  Dep-P Fr= 1--      0.2120                 0.1116                 0.2468
  Dep-U Fr= 1--      0.3498                 0.2007                 0.3958
 Alpha2 Fr= 1--      1.9625                 2.7783                 1.4165
 Beta2  Fr= 1--      8.6996                 5.4619                 7.8137
 AlphaG Fr= 1--     -2.4727                 0.0901                -0.4355
 Gamma2 Fr= 1--    -18.7037                16.0281                -1.1949
 Delta2 Fr= 1--     -6.8227                 9.5000                -2.3197
 Raman1 Fr= 1--     596.845                653.026                473.753
 ROA1   Fr= 1--   -2013.877               1842.699               -188.942
 CID1   Fr= 1--      -3.374                  2.822                 -0.399
 Raman2 Fr= 1--     104.395                 65.543                 93.764
 ROA2   Fr= 1--    -394.307                308.675                -10.120
 CID2   Fr= 1--      -3.777                  4.710                 -0.108
 Raman3 Fr= 1--     208.790                131.085                187.528
 ROA3   Fr= 1--   -2013.877               1842.699               -188.942
 CID3   Fr= 1--      -9.645                 14.057                 -1.008
 RC180  Fr= 1--      -0.300                 -0.599                 -0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    177.9688               116.2514                77.5497
  Dep-P Fr= 1--      0.0356                 0.3625                 0.1469
  Dep-U Fr= 1--      0.0687                 0.5321                 0.2561
 Alpha2 Fr= 1--      3.6377                 0.9796                 1.2084
 Beta2  Fr= 1--      2.0390                10.3096                 3.3101
 AlphaG Fr= 1--      0.3440                 1.7152                 0.0020
 Gamma2 Fr= 1--     -1.0171                 6.7155               -25.0635
 Delta2 Fr= 1--     -1.6024                 2.5717               -18.0300
 Raman1 Fr= 1--     711.875                465.005                310.199
 ROA1   Fr= 1--    -148.914                726.980              -2983.060
 CID1   Fr= 1--      -0.209                  1.563                 -9.617
 Raman2 Fr= 1--      24.468                123.715                 39.721
 ROA2   Fr= 1--     -11.590                140.598               -457.285
 CID2   Fr= 1--      -0.474                  1.136                -11.512
 Raman3 Fr= 1--      48.935                247.431                 79.443
 ROA3   Fr= 1--    -148.914                726.980              -2983.060
 CID3   Fr= 1--      -3.043                  2.938                -37.550
 RC180  Fr= 1--      -0.863                  0.064                 -0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    194.0997                44.2146                83.7714
  Dep-P Fr= 1--      0.4783                 0.6038                 0.3931
  Dep-U Fr= 1--      0.6471                 0.7530                 0.5643
 Alpha2 Fr= 1--      1.0571                 0.1194                 0.6360
 Beta2  Fr= 1--     20.9330                 5.5487                 7.8788
 AlphaG Fr= 1--     -0.0565                -0.4536                -0.0872
 Gamma2 Fr= 1--     31.3327                -4.2802                -2.3193
 Delta2 Fr= 1--     20.2778                 0.2096                 0.4997
 Raman1 Fr= 1--     776.399                176.858                335.086
 ROA1   Fr= 1--    3656.824               -404.189               -206.661
 CID1   Fr= 1--       4.710                 -2.285                 -0.617
 Raman2 Fr= 1--     251.195                 66.584                 94.545
 ROA2   Fr= 1--     589.761               -104.401                -59.660
 CID2   Fr= 1--       2.348                 -1.568                 -0.631
 Raman3 Fr= 1--     502.391                133.169                189.091
 ROA3   Fr= 1--    3656.824               -404.189               -206.661
 CID3   Fr= 1--       7.279                 -3.035                 -1.093
 RC180  Fr= 1--       0.294                  0.506                  0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     90.2742                69.0325               278.2639
  Dep-P Fr= 1--      0.6912                 0.6457                 0.1033
  Dep-U Fr= 1--      0.8174                 0.7847                 0.1873
 Alpha2 Fr= 1--      0.0929                 0.1297                 4.8324
 Beta2  Fr= 1--     12.2988                 9.0282                 8.6865
 AlphaG Fr= 1--     -0.0276                -0.0593                 0.5234
 Gamma2 Fr= 1--      0.4033                -2.4657                 6.1035
 Delta2 Fr= 1--     -1.8403                -3.5801                 3.3782
 Raman1 Fr= 1--     361.097                276.130               1113.056
 ROA1   Fr= 1--     -20.176               -351.274                694.039
 CID1   Fr= 1--      -0.056                 -1.272                  0.624
 Raman2 Fr= 1--     147.586                108.339                104.238
 ROA2   Fr= 1--      24.401                -30.537                119.459
 CID2   Fr= 1--       0.165                 -0.282                  1.146
 Raman3 Fr= 1--     295.172                216.677                208.475
 ROA3   Fr= 1--     -20.176               -351.274                694.039
 CID3   Fr= 1--      -0.068                 -1.621                  3.329
 RC180  Fr= 1--       0.635                  0.569                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
   XXXXXXXX XX XX                                                XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX  XXX X  X X XXXXX  XX X X  X X  
   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150134D+03 -0.263651D+01  0.789743D+00
      2  -0.263651D+01  0.133772D+03 -0.465711D+01
      3   0.789743D+00 -0.465711D+01  0.854564D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.427805D+01  0.241980D+00 -0.123672D+02
      2   0.556272D+01 -0.118111D+02 -0.177509D+01
      3   0.884610D+01 -0.464300D+02  0.917501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.131181D+03  0.662621D+01 -0.624544D+01
      2  -0.703111D+02  0.203353D+02 -0.139506D+02
      3  -0.608697D+02 -0.269615D+02  0.201961D+02
      4   0.578618D+02  0.636181D+02 -0.173575D+02
      5   0.161241D+02 -0.182096D+02 -0.100005D+02
      6  -0.440487D+01  0.116508D+02  0.201971D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146754D+01  0.158265D+01 -0.666873D+00  0.445140D+01 -0.874897D+00
      2   0.158265D+01  0.178371D+01 -0.143462D+00 -0.874897D+00  0.237395D+01
      3  -0.666873D+00 -0.143462D+00  0.213277D+01  0.871907D+00  0.421577D+00
                 6             7             8             9            10 
      1   0.871907D+00 -0.119210D+01  0.569376D+00  0.393262D+01  0.507750D+01
      2   0.421577D+00  0.569376D+00  0.625936D+00  0.322726D+01 -0.858546D+00
      3   0.242929D+01  0.393262D+01  0.322726D+01 -0.876180D+00 -0.291458D+00
                11            12            13            14            15 
      1  -0.858546D+00 -0.291458D+00 -0.141788D+01 -0.157663D+01  0.889012D+00
      2   0.263096D+01  0.127868D+00 -0.157663D+01 -0.264279D+01  0.385036D-01
      3   0.127868D+00  0.298687D+01  0.889012D+00  0.385036D-01 -0.106614D+01
                16            17            18            19            20 
      1   0.309664D-01  0.958092D+00  0.515804D+01  0.638025D+00 -0.453919D+01
      2   0.958092D+00  0.341157D+00 -0.121305D+01 -0.453919D+01 -0.749632D+00
      3   0.515804D+01 -0.121305D+01  0.114438D+01  0.640991D+00 -0.272444D+00
                21            22            23            24            25 
      1   0.640991D+00  0.470185D+01 -0.104496D+01  0.912956D-01 -0.623849D-01
      2  -0.272444D+00 -0.104496D+01  0.234154D+01  0.534738D+00 -0.344200D+00
      3  -0.951399D+00  0.912956D-01  0.534738D+00  0.208640D+01 -0.136520D+00
                26            27            28            29            30 
      1  -0.344200D+00 -0.136520D+00 -0.126839D+02  0.453317D+01 -0.137187D+01
      2   0.513786D+00  0.356458D+01  0.453317D+01 -0.457447D+01  0.632145D+00
      3   0.356458D+01 -0.172147D+01 -0.137187D+01  0.632145D+00 -0.187399D+01
                31            32            33            34            35 
      1   0.788716D+01  0.233964D+01 -0.282941D+00 -0.111982D+01 -0.577978D+00
      2   0.233964D+01  0.179870D+01  0.303449D+00 -0.577978D+00  0.857700D-01
      3  -0.282941D+00  0.303449D+00 -0.258396D-02 -0.286309D+01  0.125079D+01
                36            37            38            39            40 
      1  -0.286309D+01 -0.161624D+00 -0.381681D+01  0.535407D+00 -0.121584D+02
      2   0.125079D+01 -0.381681D+01 -0.664986D+01  0.992446D+00 -0.295014D+01
      3  -0.144414D+01  0.535407D+00  0.992446D+00 -0.174747D+01  0.234980D+00
                41            42            43            44            45 
      1  -0.295014D+01  0.234980D+00  0.205252D+01  0.212718D-01 -0.184269D+01
      2  -0.605565D+01  0.452912D-02  0.212718D-01 -0.350886D+00 -0.292342D+01
      3   0.452912D-02 -0.838533D+00 -0.184269D+01 -0.292342D+01  0.735371D+00
                46            47            48            49            50 
      1  -0.289413D+01  0.325838D+01 -0.527997D+00 -0.438018D+01  0.585268D+00
      2   0.325838D+01  0.315303D+01 -0.423636D-01  0.585268D+00 -0.562899D+00
      3  -0.527997D+00 -0.423636D-01 -0.562301D-01  0.966153D-01 -0.671299D+00
                51            52            53            54            55 
      1   0.966153D-01 -0.339507D-01  0.789723D+00  0.158669D+01  0.207989D+01
      2  -0.671299D+00  0.789723D+00 -0.338290D+00 -0.349114D+01 -0.304628D+00
      3  -0.244881D+01  0.158669D+01 -0.349114D+01  0.138023D+01  0.623240D+00
                56            57            58            59            60 
      1  -0.304628D+00  0.623240D+00 -0.826173D+00  0.427457D+01 -0.438492D+00
      2   0.314599D+01 -0.360574D+00  0.427457D+01 -0.177786D+01 -0.188739D+01
      3  -0.360574D+00  0.192483D+01 -0.438492D+00 -0.188739D+01 -0.101180D+01
                61            62            63            64            65 
      1   0.239882D+01 -0.510450D+00  0.329849D+01  0.723040D+01 -0.190643D+01
      2  -0.510450D+00 -0.221666D+01 -0.143320D+01 -0.190643D+01 -0.230883D+01
      3   0.329849D+01 -0.143320D+01  0.819982D+01  0.200574D+01  0.417243D-01
                66            67            68            69            70 
      1   0.200574D+01 -0.436297D+01 -0.166490D+01  0.479667D+00  0.225569D+01
      2   0.417243D-01 -0.166490D+01  0.112975D+01  0.129346D+01  0.133971D-01
      3  -0.155117D+00  0.479667D+00  0.129346D+01 -0.800138D+00  0.179475D+01
                71            72            73            74            75 
      1   0.133971D-01  0.179475D+01 -0.556992D+01 -0.125366D+01 -0.163614D+01
      2   0.176039D+01  0.532445D+00 -0.125366D+01  0.781510D+00 -0.103986D+01
      3   0.532445D+00 -0.778000D+01 -0.163614D+01 -0.103986D+01  0.274947D+00
                76            77            78            79            80 
      1   0.764897D+00 -0.111485D+01 -0.531805D+00 -0.181378D+01  0.280123D+00
      2  -0.111485D+01 -0.521491D+01 -0.143635D+01  0.280123D+00 -0.131043D+01
      3  -0.531805D+00 -0.143635D+01  0.278090D+00 -0.171284D+01 -0.208200D+01
                81            82            83            84            85 
      1  -0.171284D+01  0.265885D+01  0.393875D+00  0.184702D+00  0.997403D+00
      2  -0.208200D+01  0.393875D+00 -0.161852D+01 -0.697027D+00  0.224749D+01
      3   0.513205D-02  0.184702D+00 -0.697027D+00 -0.240786D+00 -0.133337D+01
                86            87            88            89            90 
      1   0.224749D+01 -0.133337D+01 -0.869284D+00 -0.290048D+01  0.222159D+01
      2   0.839178D+01  0.481952D+00 -0.290048D+01 -0.987763D+00  0.600975D+01
      3   0.481952D+00  0.242484D+01  0.222159D+01  0.600975D+01 -0.536078D+01
                91            92            93            94            95 
      1   0.702239D+01  0.443078D+01 -0.323986D+00  0.448461D+01  0.449681D+01
      2   0.443078D+01  0.342199D+01 -0.187482D+00  0.449681D+01  0.527793D+01
      3  -0.323986D+00 -0.187482D+00  0.632499D+00 -0.494938D+00 -0.473707D+00
                96            97            98            99           100 
      1  -0.494938D+00 -0.177826D+00 -0.337274D+00  0.131358D-01  0.129068D+02
      2  -0.473707D+00 -0.337274D+00 -0.512140D+00  0.649332D-01 -0.248511D+01
      3   0.662404D+00  0.131358D-01  0.649332D-01 -0.466028D-01  0.100200D+01
               101           102           103           104           105 
      1  -0.248511D+01  0.100200D+01 -0.256461D+01  0.213526D+01 -0.452521D+00
      2   0.119940D+01 -0.184918D+00  0.213526D+01 -0.107788D+01  0.237596D+00
      3  -0.184918D+00  0.889780D+00 -0.452521D+00  0.237596D+00 -0.282660D+00
               106           107           108           109           110 
      1   0.111471D+01 -0.498230D+00  0.632134D-01 -0.873794D+00  0.147488D+01
      2  -0.498230D+00  0.166357D+00 -0.545329D-01  0.147488D+01 -0.964921D+00
      3   0.632134D-01 -0.545329D-01  0.833253D-01 -0.147467D+00  0.190331D+00
               111           112           113           114           115 
      1  -0.147467D+00  0.129164D+01 -0.111237D+01  0.982161D-01 -0.275171D+00
      2   0.190331D+00 -0.111237D+01  0.889562D+01 -0.136626D+01  0.278580D+00
      3  -0.820829D-01  0.982161D-01 -0.136626D+01  0.960644D+00  0.192259D-01
               116           117           118           119           120 
      1   0.278580D+00  0.192259D-01  0.149144D+01 -0.196028D+01  0.314432D+00
      2  -0.151391D+01  0.303838D+00 -0.196028D+01  0.217658D+01 -0.378764D+00
      3   0.303838D+00 -0.290152D+00  0.314432D+00 -0.378764D+00  0.359260D+00
               121           122           123           124           125 
      1  -0.186003D+01  0.293483D+01 -0.411934D+00  0.455674D+00 -0.532962D+00
      2   0.293483D+01 -0.987452D+01  0.127972D+01 -0.532962D+00  0.137600D+01
      3  -0.411934D+00  0.127972D+01 -0.979244D+00  0.197754D+00 -0.379157D+00
               126           127           128           129           130 
      1   0.197754D+00 -0.191512D+01  0.262052D+00 -0.183438D+01  0.724117D+00
      2  -0.379157D+00  0.262052D+00 -0.677740D+00  0.325654D+00 -0.166896D+01
      3   0.274900D+00 -0.183438D+01  0.325654D+00 -0.167483D+01  0.482130D+00
               131           132           133           134           135 
      1  -0.166896D+01  0.482130D+00 -0.452034D+01  0.124418D+01 -0.322787D+01
      2   0.136834D+01 -0.104383D+01  0.124418D+01 -0.151955D+01  0.143807D+01
      3  -0.104383D+01  0.878863D+00 -0.322787D+01  0.143807D+01 -0.890612D+01
               136           137           138           139           140 
      1   0.833050D+01 -0.336149D+01  0.103138D+01 -0.536257D+00 -0.367660D+01
      2  -0.336149D+01 -0.240497D+01  0.421553D-01 -0.367660D+01  0.475696D+00
      3   0.103138D+01  0.421553D-01 -0.177845D+01  0.320836D-01  0.297745D+01
               141           142           143           144           145 
      1   0.320836D-01  0.167846D+01 -0.844132D+00 -0.155735D+01 -0.121543D+02
      2   0.297745D+01 -0.844132D+00  0.399616D+01 -0.157723D+00  0.549682D+00
      3   0.241505D+00 -0.155735D+01 -0.157723D+00 -0.571096D+01 -0.153273D+01
               146           147           148           149           150 
      1   0.549682D+00 -0.153273D+01  0.157536D+01 -0.140185D+01  0.143001D+00
      2  -0.103226D+01  0.870676D-02 -0.140185D+01  0.365488D+00 -0.452761D+00
      3   0.870676D-02 -0.111401D+01  0.143001D+00 -0.452761D+00  0.123163D-01
               151           152           153           154           155 
      1  -0.295554D+01  0.148015D+00 -0.181851D+01 -0.119055D+01  0.514935D-01
      2   0.148015D+00 -0.760583D+00  0.384503D-01  0.514935D-01  0.350885D+00
      3  -0.181851D+01  0.384503D-01 -0.369137D+00  0.104333D+01  0.330888D-01
               156           157           158           159           160 
      1   0.104333D+01  0.207376D+00 -0.230255D+00 -0.309708D-01  0.197626D+01
      2   0.330888D-01 -0.230255D+00 -0.199814D+00  0.110537D+01  0.374929D-01
      3   0.821599D-01 -0.309708D-01  0.110537D+01 -0.248803D+00 -0.264461D+01
               161           162           163           164           165 
      1   0.374929D-01 -0.264461D+01  0.732120D+00 -0.831018D+00 -0.664233D+00
      2   0.153797D+01 -0.278013D+00 -0.831018D+00  0.226041D+01  0.589950D+00
      3  -0.278013D+00  0.791615D+01 -0.664233D+00  0.589950D+00  0.261447D+00
               166           167           168           169           170 
      1  -0.140988D+01 -0.403427D+00  0.207916D+00 -0.953369D+00  0.178938D+00
      2  -0.403427D+00 -0.955987D+01 -0.245179D+01  0.178938D+00 -0.383028D+01
      3   0.207916D+00 -0.245179D+01 -0.170719D+01 -0.186419D+00 -0.288825D+01
               171           172           173           174           175 
      1  -0.186419D+00 -0.131418D+01 -0.992572D+00  0.143831D+01 -0.659598D+00
      2  -0.288825D+01 -0.992572D+00 -0.239168D+00  0.533450D+00 -0.122085D+01
      3  -0.147832D+01  0.143831D+01  0.533450D+00 -0.844120D+00  0.635191D+00
               176           177           178           179           180 
      1  -0.122085D+01  0.635191D+00  0.290350D+01  0.196528D+01 -0.162732D+01
      2  -0.430989D+01  0.224600D+01  0.196528D+01  0.460600D+01 -0.480058D+01
      3   0.224600D+01 -0.179938D+01 -0.162732D+01 -0.480058D+01  0.714495D+01
               181           182           183           184           185 
      1  -0.191912D+00  0.308047D+00  0.822502D+00 -0.328610D+00  0.467872D+00
      2   0.308047D+00  0.743930D+00  0.208651D+00  0.467872D+00  0.224495D+00
      3   0.822502D+00  0.208651D+00  0.122222D+01  0.422434D-01  0.596468D+00
               186           187           188           189           190 
      1   0.422434D-01  0.122990D+01 -0.353133D+00 -0.680017D-01 -0.113442D+02
      2   0.596468D+00 -0.353133D+00  0.162579D+01  0.143461D+01  0.424656D+01
      3  -0.112707D+00 -0.680017D-01  0.143461D+01  0.744706D+01 -0.376811D-01
               191           192           193           194           195 
      1   0.424656D+01 -0.376811D-01  0.195666D+01 -0.164478D+01  0.197469D-01
      2  -0.285827D+01 -0.204913D+00 -0.164478D+01  0.150162D+01 -0.324625D+00
      3  -0.204913D+00 -0.103954D+01  0.197469D-01 -0.324625D+00  0.155781D+00
               196           197           198           199           200 
      1  -0.105893D+01  0.378083D+00 -0.112460D+01  0.658125D+00  0.121817D+01
      2   0.378083D+00 -0.818250D+00  0.552378D+00  0.121817D+01  0.243024D+01
      3  -0.112460D+01  0.552378D+00  0.198544D+00 -0.607212D+00 -0.214360D+00
               201           202           203           204           205 
      1  -0.607212D+00  0.146206D+01  0.110375D+01 -0.347037D+00 -0.106403D+01
      2  -0.214360D+00  0.110375D+01  0.713118D+01 -0.141280D+01  0.362892D-01
      3   0.791250D+00 -0.347037D+00 -0.141280D+01  0.116787D+01  0.524331D+00
               206           207 
      1   0.362892D-01  0.524331D+00
      2  -0.247656D+01  0.128397D+01
      3   0.128397D+01 -0.546013D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830942D+00 -0.173282D+00 -0.438352D+01 -0.157023D+01  0.903749D-01
      2  -0.908443D+00 -0.155950D+01  0.477053D+01  0.129149D+01  0.232967D+01
      3  -0.411101D+01 -0.125901D+02  0.972524D+00  0.742027D+01 -0.126087D+01
                 6             7             8             9            10 
      1  -0.654142D+00 -0.768258D+01  0.526131D+01 -0.106648D+01 -0.303248D-01
      2   0.772614D+01  0.363652D+00  0.112217D+02 -0.303829D+01  0.676503D+00
      3  -0.118562D+01 -0.214285D+01 -0.273413D+01 -0.451798D+01  0.299203D+01
                11            12            13            14            15 
      1  -0.137365D+00  0.179182D+01  0.282699D+00  0.254528D+01  0.239880D+01
      2  -0.116715D+00  0.944970D+01  0.303792D+01 -0.136401D+01 -0.342662D+01
      3  -0.105167D+02  0.254404D+00  0.102151D+02  0.169771D+00  0.162485D+01
                16            17            18            19            20 
      1   0.369006D+01  0.106660D+02 -0.160889D+01 -0.157243D+00  0.153628D+00
      2   0.854783D+01 -0.513793D+01  0.348315D+01  0.225327D+01 -0.210267D+01
      3  -0.292420D+01  0.666694D+00  0.166852D+01  0.670610D+01 -0.500387D+01
                21            22            23            24            25 
      1   0.338685D+01  0.671847D+00  0.327478D+00 -0.367201D+01  0.219939D+01
      2  -0.239231D+01 -0.126403D+01 -0.232821D-01  0.348157D+01 -0.138641D+02
      3   0.188503D+01  0.566681D+01 -0.770954D+01 -0.753373D+00  0.354835D+01
                26            27            28            29            30 
      1   0.100757D+01  0.122149D+01 -0.305458D+00 -0.178673D+00  0.158992D+01
      2   0.427412D+01 -0.261253D+01  0.846440D+00  0.132968D+01 -0.234704D+01
      3  -0.130707D+01 -0.649916D+01 -0.341476D+01  0.113086D+02 -0.161056D+01
                31            32            33            34            35 
      1  -0.131214D+01  0.172385D+01 -0.440103D+00  0.225844D+01  0.100492D+02
      2   0.577598D+00 -0.979490D+00  0.256632D+00 -0.141402D+02  0.126286D+01
      3   0.117020D+02 -0.932745D+01  0.216595D+01  0.898826D+00  0.248705D+01
                36            37            38            39            40 
      1  -0.538370D+00  0.121020D+01  0.218394D+00 -0.132893D+01 -0.197689D+00
      2  -0.930688D+00  0.334462D+00 -0.605769D+00 -0.143966D+01 -0.308761D+01
      3  -0.236862D+01 -0.622959D+01  0.476347D+01 -0.584484D+00  0.109994D+02
                41            42            43            44            45 
      1   0.165638D+01 -0.926989D+00 -0.272591D+01  0.704828D+01 -0.261102D+00
      2   0.177444D+01 -0.101754D+01 -0.144314D+02 -0.586414D+00  0.454923D-01
      3   0.178873D+02 -0.212648D+01 -0.130576D+01 -0.994840D+00  0.373459D+01
                46            47            48            49            50 
      1  -0.125434D+01  0.392275D+00 -0.117230D+01 -0.388259D+00 -0.157453D+00
      2  -0.673681D-01 -0.408059D+00 -0.956644D+00 -0.142224D+01 -0.158583D+01
      3  -0.463399D+00 -0.131614D+02  0.124297D+01  0.888166D+00  0.408653D+01
                51            52            53            54            55 
      1  -0.341641D+01  0.240412D+01  0.175759D+01  0.222405D+00  0.736988D+00
      2  -0.616215D+01 -0.939095D+01 -0.887676D+01  0.297422D+01  0.685198D+00
      3   0.956432D+00  0.122334D+01  0.113462D+01  0.665791D+01  0.373658D+01
                56            57            58            59            60 
      1   0.243028D+00 -0.247674D+01 -0.199029D+01  0.410192D+01 -0.549155D+00
      2  -0.196482D+00  0.464915D+00  0.377940D+00  0.458239D+01  0.730418D+00
      3  -0.284038D+00 -0.100984D+01  0.151731D+02  0.405114D+01 -0.542152D+01
                61            62            63            64            65 
      1  -0.467077D+01  0.764243D+01 -0.557327D+01 -0.355092D+00  0.233521D+00
      2  -0.893256D+01  0.153661D+01 -0.119037D+02 -0.954819D+01  0.752097D+00
      3   0.170360D+01 -0.705351D+01  0.124089D+01 -0.944683D+01 -0.992492D+01
                66            67            68            69            70 
      1   0.802664D-01  0.119921D+01 -0.124035D+01  0.804883D+00  0.133260D+01
      2   0.692311D+00 -0.673027D+00 -0.301497D+01  0.219257D+01 -0.868278D+01
      3  -0.328234D-01 -0.877290D+01  0.546252D+01  0.460432D+01 -0.128641D+01
                71            72            73            74            75 
      1   0.207377D+01 -0.195933D+00 -0.258308D+01 -0.214931D+00  0.150086D+01
      2  -0.253671D+01  0.198991D+02  0.672746D+00  0.458827D+00  0.624151D+01
      3   0.387305D+01  0.672511D+00  0.136149D+02 -0.406877D+01  0.238327D+01
                76            77            78            79            80 
      1   0.776734D+00 -0.369730D+00 -0.638502D+01 -0.446037D+01  0.187006D+01
      2   0.437440D+00  0.272602D+01 -0.226849D+01 -0.352067D+01  0.402424D+01
      3   0.778077D+01 -0.136772D+02 -0.478078D+01  0.583026D+01 -0.650849D+01
                81            82            83            84            85 
      1  -0.180233D+01  0.100852D+01 -0.516309D+01 -0.193483D+01 -0.332249D+01
      2   0.125841D+01  0.251394D+01 -0.735002D+00 -0.156033D+01  0.869536D+00
      3  -0.271196D+00 -0.778097D+01 -0.194510D+01 -0.106550D+01  0.715695D+01
                86            87            88            89            90 
      1   0.510205D+01  0.589884D+01  0.769062D+01  0.196343D+02 -0.128093D+02
      2  -0.106713D+01  0.961041D+00 -0.404033D+01 -0.236824D+01  0.576183D+00
      3   0.532766D+00  0.542067D+01 -0.190496D+00  0.101941D+02 -0.764598D+00
                91            92            93            94            95 
      1  -0.470972D-01 -0.293305D+00 -0.239651D+01  0.367519D+00  0.524499D-01
      2   0.312605D+00  0.212073D+00  0.366406D+01 -0.695232D+00 -0.677674D+00
      3  -0.248013D+01 -0.604639D+01  0.507610D-01 -0.493075D+01 -0.102921D+02
                96            97            98            99           100 
      1  -0.273427D+01  0.117690D+01  0.133521D+01  0.108610D+00  0.159840D+00
      2   0.331635D+01 -0.161938D+01 -0.103977D+01 -0.130984D+00  0.151614D+01
      3   0.607697D+00  0.112283D+01  0.152469D+01  0.100512D-01  0.261592D+01
               101           102           103           104           105 
      1   0.376056D+00  0.117486D+01  0.408898D-01 -0.896114D-01 -0.674519D+00
      2  -0.281524D+00  0.603046D+01 -0.130178D+01  0.606681D+00 -0.175723D+01
      3  -0.582722D+01  0.195058D+00 -0.486050D+01  0.318661D+01 -0.530562D+00
               106           107           108           109           110 
      1  -0.675269D+00  0.596468D+00  0.530348D-01 -0.312769D+00  0.166894D+00
      2  -0.259149D+01  0.488492D+00  0.260076D+00 -0.768981D+00  0.791438D+00
      3   0.167649D+01 -0.958020D+00  0.195001D+00 -0.603277D+01  0.488846D+01
               111           112           113           114           115 
      1   0.640291D+00  0.539927D+00 -0.100658D+01 -0.419679D+01 -0.456985D+00
      2  -0.327358D-01  0.110326D+01 -0.197267D+01  0.504826D+00 -0.147366D+01
      3  -0.471715D+00  0.836689D+01 -0.154295D+02  0.196040D+01 -0.724318D+00
               116           117           118           119           120 
      1   0.215082D+01  0.432565D+00  0.133832D+00 -0.175592D+00  0.130753D+01
      2   0.402107D+00  0.107037D+00  0.472440D+00 -0.478817D+00  0.109138D+01
      3   0.287750D+01 -0.250382D+00  0.144615D+01 -0.176657D+01  0.353378D+00
               121           122           123           124           125 
      1   0.423360D-01 -0.354371D+00 -0.449551D+01 -0.486306D-01  0.188479D+01
      2  -0.184131D+00  0.236515D+01 -0.266671D+01 -0.109890D+01  0.878445D-01
      3   0.477789D+00  0.173645D+02 -0.217816D+01  0.478452D+00 -0.217444D+01
               126           127           128           129           130 
      1   0.452286D+00  0.204419D+01  0.923460D+00  0.124655D+01  0.954913D+00
      2   0.276982D+00  0.781278D+00 -0.778810D+00  0.292027D+01 -0.950369D+00
      3  -0.966760D-02 -0.194823D+01 -0.352151D+01 -0.136968D+01 -0.192716D+01
               131           132           133           134           135 
      1  -0.351544D+00 -0.156627D+01  0.210213D+01  0.131590D+01  0.751826D+01
      2   0.482987D+00 -0.121674D+01  0.429294D+00 -0.112018D+01  0.121464D+02
      3   0.940136D+00 -0.136136D+01 -0.315164D+01 -0.870801D+00 -0.289005D+00
               136           137           138           139           140 
      1  -0.417693D+01 -0.154563D+01  0.494572D+01  0.586087D+00 -0.117512D+02
      2  -0.543328D+01  0.247975D+01  0.522513D+01  0.202588D+01 -0.482040D+01
      3   0.158358D+02 -0.198361D+02  0.300654D+01 -0.110728D+02 -0.995135D+01
               141           142           143           144           145 
      1  -0.169964D+01  0.255343D+01  0.463101D+01  0.143610D+02 -0.164693D+00
      2  -0.336807D+00  0.367254D+00  0.120793D+01  0.118750D+02  0.524965D+01
      3   0.755322D+01  0.215709D+01  0.751191D+01 -0.474110D+01  0.491543D+01
               146           147           148           149           150 
      1   0.315936D+00 -0.121106D-01 -0.936010D-01 -0.108595D+00 -0.708418D+00
      2  -0.767105D-01  0.623907D+01 -0.555682D+00  0.127190D+01 -0.404001D+00
      3  -0.723142D+01  0.541092D+00 -0.294140D+01  0.189449D+01 -0.153683D+01
               151           152           153           154           155 
      1  -0.543512D+00  0.893788D+00 -0.170578D+00  0.490856D-01  0.499519D+00
      2   0.403024D+01 -0.781373D-01  0.146221D+01 -0.236907D+01  0.126939D+00
      3   0.820369D+00 -0.341441D+01  0.443467D+00  0.133980D+01  0.119725D+01
               156           157           158           159           160 
      1  -0.445548D-01  0.871570D-02  0.231771D+00 -0.625028D+00 -0.747260D+00
      2   0.405369D+00  0.922093D+00 -0.297657D+01  0.559915D+00  0.233532D+01
      3  -0.365564D+00  0.183388D+01 -0.355978D+00  0.281096D+01 -0.900127D+00
               161           162           163           164           165 
      1   0.438481D+01  0.151923D+01 -0.146362D+01  0.182446D+01  0.105801D+01
      2   0.108409D+01 -0.203896D+02 -0.135561D+00 -0.667266D+00  0.917799D+00
      3   0.596375D+01  0.410070D+00 -0.267305D+01  0.148642D+01  0.277992D+01
               166           167           168           169           170 
      1  -0.169209D+00 -0.676942D+01 -0.664183D+01 -0.859589D+00 -0.646735D+01
      2  -0.561847D+00  0.149200D+01  0.464547D+00 -0.753090D+00  0.890441D+00
      3   0.534954D+01 -0.675896D+01 -0.295650D+01  0.397335D+01 -0.403824D+01
               171           172           173           174           175 
      1  -0.455362D+01  0.324007D+01  0.874669D+00 -0.196519D+01  0.164346D+01
      2   0.732804D+00  0.106300D+01  0.658410D+00  0.823275D+00  0.443320D+00
      3  -0.185376D+01  0.402193D+01  0.871507D+00 -0.338018D+01  0.177155D+01
               176           177           178           179           180 
      1   0.312911D+01 -0.509868D+01 -0.379986D+01 -0.824993D+01  0.172980D+02
      2  -0.650999D+00  0.892832D+00 -0.227769D+01  0.133297D+01 -0.251825D+01
      3  -0.146288D+01  0.197651D-01 -0.767468D+01 -0.213301D+01 -0.425641D+00
               181           182           183           184           185 
      1  -0.175515D+01  0.550461D+00 -0.301316D+01  0.207069D+00 -0.168884D+01
      2  -0.252562D+01 -0.271878D+00 -0.203168D+01  0.240391D+00 -0.118983D+01
      3   0.770172D+00  0.188078D+01  0.227390D+01  0.142107D+01  0.130640D+01
               186           187           188           189           190 
      1  -0.373161D+00 -0.478789D+00  0.517400D+00 -0.184276D+02  0.866105D+00
      2   0.168974D+00 -0.371896D+01 -0.230573D+01 -0.141416D+02  0.384883D+01
      3   0.103053D+01  0.287343D+01  0.257420D+01  0.374225D+01 -0.202109D+02
               191           192           193           194           195 
      1  -0.291785D+00  0.328474D+01 -0.460139D+00  0.135706D+01 -0.122944D+01
      2  -0.670786D+00  0.509193D+01 -0.101397D+01  0.114019D+01 -0.848832D+00
      3   0.629997D+00 -0.842184D+00  0.327679D+01 -0.163999D+00 -0.103561D+01
               196           197           198           199           200 
      1   0.214887D+01 -0.401281D+00 -0.566223D+00  0.232603D+01  0.140135D+01
      2   0.127977D+01 -0.825567D+00 -0.363210D+00  0.922624D+00 -0.187541D+00
      3  -0.156733D+01 -0.127135D+01 -0.124128D+01  0.812467D+01  0.780594D+01
               201           202           203           204           205 
      1  -0.327956D+01  0.179005D+01  0.589826D+01 -0.575223D+01 -0.173495D+01
      2  -0.530218D+00  0.383039D+00  0.155143D+01 -0.115070D+01 -0.189224D+01
      3  -0.286965D+01  0.100805D+02  0.181873D+02 -0.448345D+01 -0.443858D+01
               206           207 
      1  -0.271051D+01  0.205019D+01
      2  -0.161756D+01  0.527210D+00
      3  -0.534930D+01  0.445715D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.896403D-01 -0.208245D+02  0.171952D+01  0.293774D+02  0.266159D+01
      2  -0.398134D+01  0.139314D+02  0.197691D+01 -0.299272D+02 -0.793576D+01
      3   0.407098D+01  0.689308D+01 -0.369643D+01  0.549835D+00  0.527416D+01
      4  -0.204930D+02  0.116023D+02 -0.370016D+01  0.789790D+00 -0.178731D+02
      5   0.440176D+00 -0.402121D+01  0.107662D+02  0.342084D+01  0.781193D+01
      6  -0.150122D+01 -0.907243D+00  0.967452D+01  0.602340D+01  0.311397D+01
                 6             7             8             9            10 
      1   0.534123D+00 -0.844800D+01 -0.174715D+01  0.742339D+01 -0.831699D+01
      2  -0.128876D+01  0.911093D+01  0.364828D+01 -0.128034D+02  0.260206D+01
      3   0.754642D+00 -0.662930D+00 -0.190113D+01  0.538001D+01  0.571492D+01
      4   0.771964D+01  0.178319D+00  0.714943D+01  0.153035D+02  0.890851D+01
      5   0.160760D+02  0.278898D+02  0.168929D+02 -0.630049D+01 -0.642423D+01
      6   0.287128D+01  0.956946D+01  0.125312D+02  0.128800D+01  0.760080D+00
                11            12            13            14            15 
      1   0.541351D+01 -0.468017D+01 -0.161233D+02 -0.220752D+02  0.553095D+01
      2  -0.166745D+01  0.148912D+01  0.156435D+02  0.226762D+02 -0.700065D+01
      3  -0.374606D+01  0.319105D+01  0.479825D+00 -0.601013D+00  0.146970D+01
      4   0.233612D+02  0.727069D+00 -0.232509D+02  0.133612D+02 -0.490780D+01
      5   0.419005D+00  0.204365D+02  0.883556D+01 -0.633738D+01 -0.725689D+01
      6  -0.568467D+00 -0.409962D+01 -0.437013D+01 -0.286660D+01 -0.502926D+01
                16            17            18            19            20 
      1  -0.256669D+01  0.708626D+01  0.161573D+02  0.104309D+02  0.474817D+01
      2  -0.177881D+01 -0.528941D+01 -0.203128D+02 -0.718852D+01 -0.657714D+01
      3   0.434550D+01 -0.179684D+01  0.415548D+01 -0.324236D+01  0.182897D+01
      4   0.104015D+02 -0.171645D+01 -0.388699D+01  0.954961D+01 -0.238774D+02
      5   0.374121D+02 -0.662232D+01  0.713512D+01 -0.146632D+01  0.288664D+01
      6  -0.259298D+01  0.604739D+01  0.295539D+01  0.769075D+00 -0.159676D+01
                21            22            23            24            25 
      1   0.882789D+00  0.654485D+01  0.606529D+01 -0.374418D+01 -0.450641D+00
      2  -0.197600D+01  0.883390D+00 -0.125432D+02  0.534340D+01 -0.363697D+00
      3   0.109321D+01 -0.742824D+01  0.647795D+01 -0.159922D+01  0.814338D+00
      4   0.296567D+01  0.174099D+02  0.105730D+02  0.517940D+00 -0.263529D+01
      5  -0.596286D+01 -0.272070D+01  0.103019D+01  0.516012D+01  0.181576D+01
      6  -0.692606D+01 -0.157443D+01  0.792653D+01  0.765822D+01 -0.598399D+00
                26            27            28            29            30 
      1  -0.212974D+01 -0.142787D+02 -0.341909D+02  0.936269D+01 -0.826439D+00
      2   0.665065D+01  0.144185D+01  0.165269D+02 -0.255711D+01  0.305229D+00
      3  -0.452091D+01  0.128368D+02  0.176639D+02 -0.680558D+01  0.521210D+00
      4  -0.127569D+01  0.993915D+01 -0.906094D+01  0.634253D+01 -0.290020D+01
      5   0.984395D+01 -0.619968D+01  0.491844D+01 -0.212987D+01 -0.211083D+01
      6   0.147925D+02 -0.373820D+01 -0.211595D+01  0.266427D+00 -0.195775D+01
                31            32            33            34            35 
      1   0.108622D+02 -0.694533D+00 -0.152534D+01 -0.593505D+01 -0.133213D+01
      2  -0.358875D+01  0.601859D+01  0.303175D+00  0.288049D+01  0.283658D+01
      3  -0.727349D+01 -0.532406D+01  0.122217D+01  0.305456D+01 -0.150445D+01
      4  -0.716335D+01  0.620363D+01 -0.275561D+01  0.167632D+01 -0.417436D+01
      5   0.419197D+00 -0.163294D+01 -0.593171D+00  0.167808D+01  0.720491D+00
      6  -0.144757D+01 -0.249245D+00 -0.202734D+00 -0.192407D+01  0.453294D+01
                36            37            38            39            40 
      1  -0.106544D+02 -0.127594D+02 -0.263696D+02  0.400091D+01 -0.160329D+02
      2  -0.213357D+01  0.122030D+02  0.184964D+02 -0.323070D+01  0.487137D+01
      3   0.127880D+02  0.556418D+00  0.787322D+01 -0.770207D+00  0.111615D+02
      4  -0.137541D+01 -0.856459D+01 -0.881271D-01 -0.720787D+00  0.156208D+01
      5  -0.315831D+00 -0.115083D+01 -0.252191D+01 -0.193735D+01 -0.548573D+00
      6  -0.675953D+00 -0.314544D+01 -0.233615D+01  0.251790D+01  0.144724D+01
                41            42            43            44            45 
      1  -0.120900D+02 -0.114674D+01  0.210317D+01 -0.356290D+01 -0.144923D+02
      2   0.124999D+02 -0.972602D+00 -0.294162D+01  0.343321D+01  0.278608D+01
      3  -0.409902D+00  0.211934D+01  0.838455D+00  0.129685D+00  0.117062D+02
      4  -0.103375D+02  0.665992D+00  0.925254D+00 -0.242080D+01 -0.120174D+01
      5  -0.265922D+00 -0.614726D+00  0.102041D+01 -0.261821D+01 -0.100082D+01
      6  -0.453600D+00  0.125695D+01  0.258278D+01  0.110487D+02 -0.749821D+00
                46            47            48            49            50 
      1   0.121351D+02  0.200951D+02  0.709129D-01 -0.213578D+02  0.143478D+02
      2  -0.115101D+02 -0.146887D+02  0.146117D+01  0.187035D+02 -0.231723D+02
      3  -0.624951D+00 -0.540632D+01 -0.153209D+01  0.265434D+01  0.882454D+01
      4   0.964606D+01 -0.175202D+02  0.397474D+01  0.113379D+02  0.794270D+00
      5  -0.167263D+00  0.534697D+01 -0.353591D+01 -0.394150D+00 -0.341526D+01
      6   0.400947D+01 -0.153217D+01  0.137724D+01 -0.311750D+01  0.783018D+01
                51            52            53            54            55 
      1  -0.227534D+01  0.402459D+01  0.181854D+01 -0.547741D+01  0.209910D+02
      2   0.499861D+01 -0.558500D+01  0.304099D+01 -0.500387D+01 -0.710898D+01
      3  -0.272327D+01  0.156040D+01 -0.485953D+01  0.104813D+02 -0.138820D+02
      4  -0.387187D+01  0.213210D+01 -0.699596D+01 -0.147553D+02 -0.508404D+01
      5  -0.121429D+02  0.100616D+02 -0.153234D+02  0.543795D+01 -0.189136D+01
      6   0.772289D+01 -0.494894D+01  0.135703D+02 -0.103946D+01  0.304720D+01
                56            57            58            59            60 
      1  -0.144625D+02  0.135691D+01 -0.185357D+02 -0.119278D+01  0.393777D+01
      2   0.125845D+02  0.171515D+00  0.173087D+02 -0.268332D+01 -0.813817D+01
      3   0.187808D+01 -0.152842D+01  0.122693D+01  0.387609D+01  0.420040D+01
      4  -0.900877D+01  0.231012D+01 -0.152479D+02  0.107703D+02  0.788014D+01
      5   0.259817D+01 -0.791224D+01  0.273951D+01  0.830593D+01  0.329571D+01
      6   0.206554D+01  0.491987D+01  0.360496D+01 -0.858984D+01 -0.490973D+01
                61            62            63            64            65 
      1   0.121895D+02  0.142065D+01  0.736327D+01 -0.519020D+02  0.993100D+01
      2   0.645104D+01 -0.131901D+02  0.640725D+01  0.287722D+02 -0.737652D+01
      3  -0.186405D+02  0.117695D+02 -0.137705D+02  0.231298D+02 -0.255448D+01
      4  -0.128948D+00  0.997997D+01  0.888688D+01  0.934718D+01  0.644630D+01
      5  -0.128210D+02  0.698143D+01 -0.302498D+02 -0.150594D+02  0.392677D+00
      6   0.965609D+01 -0.459832D+01  0.166579D+02 -0.950645D+00 -0.160846D+01
                66            67            68            69            70 
      1  -0.108275D+02  0.209581D+02  0.129688D+02 -0.754146D-02 -0.160354D+02
      2   0.595446D+01 -0.143890D+02 -0.142686D+02  0.321263D+01  0.304606D+01
      3   0.487299D+01 -0.656911D+01  0.129977D+01 -0.320509D+01  0.129894D+02
      4  -0.224791D-01  0.123598D+01 -0.130472D+01 -0.677166D+01 -0.215284D+01
      5  -0.188037D+01 -0.411036D+01 -0.743797D+01  0.598512D+01 -0.110267D+02
      6   0.370883D-01 -0.255696D+01 -0.173855D+01 -0.446181D+01 -0.270708D+01
                71            72            73            74            75 
      1   0.113366D+01  0.481878D+00  0.266761D+02  0.834420D+01  0.563703D+00
      2  -0.141340D+00  0.142271D+02 -0.149717D+02 -0.466468D+01 -0.202672D+01
      3  -0.992324D+00 -0.147089D+02 -0.117044D+02 -0.367952D+01  0.146301D+01
      4  -0.309001D+01 -0.422782D+01  0.147664D+02  0.139160D+02  0.669670D+01
      5  -0.262456D+01  0.376025D+02  0.818601D+01  0.379112D+01  0.105144D+02
      6  -0.728659D+00  0.327362D+01  0.625500D+01  0.555719D+01 -0.471667D+01
                76            77            78            79            80 
      1  -0.803378D+01 -0.120534D+02 -0.224507D+01  0.102818D+02 -0.966408D+00
      2   0.838122D+01  0.210322D+02  0.854719D+00 -0.679763D+01  0.262726D+01
      3  -0.347432D+00 -0.897876D+01  0.139036D+01 -0.348417D+01 -0.166085D+01
      4   0.133473D+02  0.188691D+02  0.671050D+01  0.676150D+01  0.737314D+01
      5   0.417169D+01  0.609460D+01 -0.424143D+01  0.114391D+02  0.745799D+01
      6   0.738894D+00  0.609791D+01  0.110798D+02  0.678191D+01  0.126657D+02
                81            82            83            84            85 
      1  -0.765157D+01 -0.118967D+02 -0.769610D+01 -0.379011D+01  0.108327D+02
      2  -0.404608D+01  0.842232D+01  0.145695D+02  0.656351D+01 -0.668504D+01
      3   0.116977D+02  0.347442D+01 -0.687336D+01 -0.277340D+01 -0.414766D+01
      4   0.991838D+01  0.657710D-01 -0.520144D+01 -0.325387D+01  0.102310D+01
      5   0.184453D+01 -0.567725D+00 -0.882670D+00 -0.731400D+01  0.261382D+01
      6   0.303543D+01 -0.192141D+01  0.574528D+01  0.409850D+01  0.767438D+01
                86            87            88            89            90 
      1   0.385538D+02  0.244536D+01 -0.176495D+02 -0.593247D+01  0.294158D+02
      2  -0.434110D+02 -0.100843D+02  0.128590D+02 -0.774494D+01 -0.192122D+02
      3   0.485724D+01  0.763889D+01  0.479052D+01  0.136774D+02 -0.102036D+02
      4   0.212925D+01  0.404567D+01  0.328727D+01  0.578973D+01 -0.896226D+01
      5   0.323563D+01 -0.298843D+01 -0.592815D+01 -0.975285D+01  0.922487D+01
      6  -0.770462D+01 -0.174000D+02 -0.122741D+02 -0.366300D+02  0.290117D+02
                91            92            93            94            95 
      1   0.399099D+02  0.215870D+02 -0.180317D+01  0.177205D+02  0.121947D+02
      2  -0.135663D+02 -0.406662D+01  0.822437D+00  0.132029D+01  0.768586D+01
      3  -0.263436D+02 -0.175204D+02  0.980728D+00 -0.190408D+02 -0.198806D+02
      4   0.440031D+02  0.338760D+02 -0.215672D+01  0.399440D+02  0.422381D+02
      5  -0.336158D+01 -0.198029D+01  0.672885D+01 -0.396830D+01 -0.364293D+01
      6  -0.467537D+00 -0.378133D+00  0.318022D+01 -0.179250D+01 -0.178982D+01
                96            97            98            99           100 
      1  -0.138443D+01  0.949125D-02 -0.507090D+00  0.502827D+00  0.100915D+03
      2   0.435272D+00 -0.946555D+00 -0.641501D+00  0.807373D+00 -0.569196D+02
      3   0.949160D+00  0.937064D+00  0.114859D+01 -0.131020D+01 -0.439950D+02
      4  -0.357100D+01 -0.277883D+01 -0.350082D+01  0.275089D+01 -0.261485D+02
      5   0.519861D+01  0.173821D+01  0.108245D+01 -0.561029D+00  0.105033D+02
      6   0.462512D+01  0.107366D+01  0.154640D+01 -0.820303D+00  0.207574D+00
               101           102           103           104           105 
      1  -0.181676D+02  0.681148D+01 -0.175029D+02  0.126870D+02 -0.225728D+01
      2   0.927498D+01 -0.456999D+01  0.805055D+01 -0.560231D+01  0.163550D+01
      3   0.889264D+01 -0.224150D+01  0.945236D+01 -0.708467D+01  0.621784D+00
      4   0.133604D+02 -0.178840D+01  0.205105D+02 -0.957059D+01  0.183894D+01
      5  -0.196951D+01  0.102823D+02 -0.411808D+01  0.209136D+01 -0.265556D+01
      6   0.340555D+00 -0.131085D+01  0.108234D+01 -0.458900D+00  0.193707D+01
               106           107           108           109           110 
      1   0.823951D+01 -0.295683D+01  0.311066D+01 -0.407765D+01  0.505339D+01
      2  -0.458158D+01  0.176458D+01 -0.162337D+01  0.564185D+01 -0.471463D+01
      3  -0.365794D+01  0.119225D+01 -0.148729D+01 -0.156420D+01 -0.338757D+00
      4  -0.418417D+01  0.191902D+01 -0.176133D+01 -0.968120D+00  0.672619D+01
      5   0.285378D+01 -0.672287D+00  0.139140D+01 -0.529819D+00 -0.102948D+00
      6  -0.487039D+00  0.698040D+00 -0.582016D+00 -0.106797D+01  0.146754D+01
               111           112           113           114           115 
      1  -0.130600D+01  0.498145D+01 -0.342007D+02  0.573939D+01 -0.858635D+00
      2   0.641525D+00 -0.537456D+01  0.472245D+02 -0.560495D+01  0.669994D+00
      3   0.664473D+00  0.393117D+00 -0.130238D+02 -0.134445D+00  0.188641D+00
      4  -0.479976D+00  0.523417D+01  0.133049D+02 -0.261464D+01 -0.519701D+00
      5   0.888026D+00 -0.193795D+00 -0.342101D+01  0.164419D+01  0.548651D+00
      6  -0.775863D+00  0.530434D+00 -0.997916D+01  0.780404D+01 -0.244758D+00
               116           117           118           119           120 
      1   0.566779D+01 -0.261111D+01  0.313708D+01 -0.351239D+01  0.367360D+00
      2  -0.687659D+01  0.297590D+01  0.288747D+01 -0.350117D+01  0.902569D-01
      3   0.120880D+01 -0.364785D+00 -0.602455D+01  0.701356D+01 -0.457617D+00
      4  -0.172364D+01 -0.747287D+00 -0.134342D+02  0.180683D+02 -0.272515D+01
      5  -0.538699D-01  0.434475D+00  0.219460D+01 -0.282811D+01  0.305193D+01
      6   0.410100D+01 -0.240432D+01 -0.165235D+01  0.209177D+01 -0.200880D+01
               121           122           123           124           125 
      1   0.694239D+00 -0.200564D+02  0.279419D+01  0.511022D-01  0.197065D+01
      2  -0.870819D+01  0.405054D+02 -0.365729D+01  0.118074D+01 -0.388394D+01
      3   0.801395D+01 -0.204490D+02  0.863096D+00 -0.123184D+01  0.191329D+01
      4   0.202473D+02 -0.458069D+02  0.580745D+01 -0.387230D+01  0.676891D+01
      5  -0.280168D+01  0.588244D+01 -0.479019D+01  0.147655D+01 -0.179188D+01
      6   0.277948D+01 -0.859391D+01  0.786198D+01 -0.174564D+01  0.432708D+01
               126           127           128           129           130 
      1  -0.221191D+01  0.287962D+01  0.135217D+01  0.259874D+01  0.305418D+01
      2   0.314695D+01 -0.654298D+01 -0.139941D+01 -0.406658D+01 -0.336012D+01
      3  -0.935036D+00  0.366336D+01  0.472340D-01  0.146784D+01  0.305944D+00
      4  -0.226703D+01 -0.234388D+01  0.601486D+01 -0.355313D+01  0.821036D+01
      5   0.120852D+01  0.904735D+01 -0.235945D+01  0.133644D+02 -0.212354D+01
      6  -0.250764D+01 -0.446411D+01  0.892670D+00 -0.326806D+01  0.199150D+01
               131           132           133           134           135 
      1  -0.422868D+01  0.176689D+01 -0.232031D+01  0.430358D+01 -0.158075D+02
      2   0.178295D+01 -0.952284D+00 -0.768776D+01  0.637523D-01 -0.174256D+02
      3   0.244573D+01 -0.814610D+00  0.100081D+02 -0.436733D+01  0.332331D+02
      4  -0.639509D+01  0.395224D+01 -0.679827D+01  0.599001D+01 -0.641073D+01
      5   0.367809D+01 -0.308034D+01  0.179115D+02 -0.624802D+01  0.323485D+02
      6  -0.251470D+01  0.896037D+01 -0.802448D+01  0.745140D+01 -0.198798D+02
               136           137           138           139           140 
      1  -0.340306D+02  0.290160D+02 -0.161936D+01  0.245553D+02  0.856746D+01
      2   0.704772D+01 -0.268964D+02  0.571593D+01 -0.257783D+02 -0.125440D+02
      3   0.269829D+02 -0.211956D+01 -0.409658D+01  0.122298D+01  0.397650D+01
      4   0.419656D+02 -0.790684D+01  0.232032D+01  0.443422D+01 -0.134119D+02
      5  -0.188805D+00 -0.215287D+01  0.665422D+01 -0.107661D+01 -0.117214D+02
      6   0.504547D+01 -0.419135D+00 -0.827610D+01 -0.231874D+01  0.187310D+02
               141           142           143           144           145 
      1  -0.109233D+02 -0.317862D+01 -0.101330D+02  0.141519D+02  0.820223D+02
      2   0.171216D+02  0.402277D+00  0.214657D+02  0.373485D+01 -0.466996D+02
      3  -0.619831D+01  0.277635D+01 -0.113327D+02 -0.178868D+02 -0.353227D+02
      4  -0.796582D+01  0.710678D+01 -0.121317D+02 -0.837340D+01  0.369530D+00
      5  -0.936632D-01  0.688549D+01 -0.102427D+01  0.171165D+02  0.116933D+02
      6   0.287251D+01 -0.809451D+01  0.131514D+01 -0.239739D+02  0.962008D+00
               146           147           148           149           150 
      1  -0.407181D+01  0.100389D+02 -0.975493D+01  0.746570D+01 -0.635452D+00
      2   0.275370D+01 -0.586640D+01  0.575821D+01 -0.273005D+01  0.968287D+00
      3   0.131811D+01 -0.417251D+01  0.399672D+01 -0.473565D+01 -0.332834D+00
      4   0.931720D+01  0.146071D+00  0.121065D+02 -0.223267D+01  0.266057D+01
      5  -0.256927D+00  0.104388D+02 -0.107722D+01  0.302939D+01 -0.685823D+00
      6   0.422030D+00  0.317361D+00  0.545881D+00  0.231029D+00  0.152808D+01
               151           152           153           154           155 
      1   0.166401D+02 -0.100410D+01  0.886370D+01  0.788815D+01 -0.238091D+00
      2  -0.105379D+02  0.936796D+00 -0.789525D+01 -0.667648D+01  0.796490D-01
      3  -0.610221D+01  0.673049D-01 -0.968449D+00 -0.121167D+01  0.158442D+00
      4  -0.301803D+00  0.405974D+01  0.143942D+00  0.716858D+00 -0.684578D+00
      5   0.146625D+02 -0.484729D+00  0.447685D+01 -0.572246D+01 -0.307520D+00
      6   0.520056D+00  0.962696D+00 -0.572117D-01 -0.877058D+00 -0.646702D-01
               156           157           158           159           160 
      1  -0.486730D+01 -0.189460D+00 -0.331392D+01  0.155193D+01 -0.706468D+01
      2   0.301314D+01  0.409460D+00  0.464294D+00 -0.654846D+00  0.104602D+02
      3   0.185416D+01 -0.220001D+00  0.284963D+01 -0.897081D+00 -0.339547D+01
      4  -0.104763D+01  0.284892D+01  0.121044D+01 -0.528244D+01 -0.170136D+01
      5   0.434321D+01 -0.161925D+00 -0.516722D+01  0.111606D+01  0.181039D+02
      6   0.343300D+00 -0.157248D+01 -0.162843D+01  0.713842D+01  0.218308D+01
               161           162           163           164           165 
      1   0.607186D+00 -0.468023D+01 -0.167066D+01  0.928006D+01  0.370766D+01
      2  -0.718880D+00 -0.202899D+02  0.432172D+01 -0.133886D+02 -0.353063D+01
      3   0.111693D+00  0.249701D+02 -0.265106D+01  0.410853D+01 -0.177031D+00
      4  -0.771535D+01  0.310584D+01 -0.258310D+01  0.907770D+01  0.337222D+01
      5   0.160577D+01 -0.392742D+02 -0.917745D-01  0.126755D+01  0.259929D+01
      6   0.421016D+01 -0.626177D+01  0.436288D+01 -0.434794D+01 -0.194610D+01
               166           167           168           169           170 
      1  -0.185545D+00 -0.405663D+02 -0.105740D+02  0.216500D+01 -0.167577D+02
      2   0.105399D+00  0.596665D+02  0.154488D+02 -0.825156D+00  0.230306D+02
      3   0.801464D-01 -0.191001D+02 -0.487474D+01 -0.133984D+01 -0.627298D+01
      4   0.639132D+01  0.189980D+01 -0.262381D+00  0.384706D+01  0.468183D+00
      5   0.697062D+00  0.125471D+01  0.149640D+01  0.237527D+01  0.239989D+01
      6  -0.532423D+00  0.191281D+02  0.131158D+02  0.179864D+01  0.205725D+02
               171           172           173           174           175 
      1  -0.134563D+02 -0.172988D+00  0.234727D+00  0.274979D+00 -0.321164D+01
      2   0.130185D+02 -0.149328D+01 -0.720944D+00  0.439001D+00  0.380196D+01
      3   0.437743D+00  0.166626D+01  0.486216D+00 -0.713980D+00 -0.590319D+00
      4   0.815421D+00  0.517464D+01  0.696682D+01 -0.599938D+01  0.410953D+01
      5  -0.665866D-01 -0.431975D+01 -0.377938D+01  0.803805D+01 -0.209644D+01
      6   0.103227D+02 -0.751539D+01 -0.369222D+01  0.441462D+01 -0.422394D+01
               176           177           178           179           180 
      1  -0.195925D+02  0.939172D+01  0.534125D+01  0.217887D+02 -0.275965D+02
      2   0.207449D+02 -0.861357D+01 -0.292717D+01 -0.143051D+02  0.859602D+01
      3  -0.115248D+01 -0.778150D+00 -0.241408D+01 -0.748358D+01  0.190005D+02
      4   0.619699D+01 -0.442451D+01 -0.937048D+01 -0.824782D+01  0.805927D+01
      5  -0.436649D+01  0.358857D+01  0.782649D+01  0.908912D+01 -0.122258D+02
      6  -0.148854D+02  0.151385D+02  0.958914D+01  0.310196D+02 -0.389505D+02
               181           182           183           184           185 
      1   0.917702D+00 -0.498228D+01 -0.550171D+01 -0.175818D+01 -0.475103D+01
      2  -0.183753D+01  0.525933D+01  0.301706D+00  0.180038D+01  0.302784D+01
      3   0.919830D+00 -0.277054D+00  0.520000D+01 -0.421991D-01  0.172319D+01
      4  -0.178337D+01  0.539956D+00  0.329086D+01 -0.780917D-01  0.145852D+01
      5  -0.142013D+01  0.416877D+00  0.683496D+00 -0.320318D+00 -0.106313D+01
      6   0.315777D+01  0.187312D+01  0.565436D+01  0.231146D+00  0.256113D+01
               186           187           188           189           190 
      1  -0.187885D+01 -0.392019D+01 -0.643241D+01 -0.202120D+02  0.540879D+02
      2   0.338132D+01  0.874015D+00  0.557318D+01 -0.835217D+01 -0.173414D+02
      3  -0.150246D+01  0.304617D+01  0.859234D+00  0.285641D+02 -0.367465D+02
      4  -0.154882D+01  0.660295D+01 -0.569849D+01  0.468947D+00 -0.575735D+02
      5   0.605648D+00  0.523498D+01 -0.460998D+01 -0.221427D+02 -0.524657D+01
      6   0.487788D+01 -0.277724D+00  0.111058D+02  0.340425D+02  0.197107D+00
               191           192           193           194           195 
      1  -0.129033D+02  0.169538D+01 -0.571826D+01  0.347129D+01  0.902413D+00
      2  -0.287522D+01 -0.659567D+00 -0.351218D+01  0.576557D+01 -0.183415D+01
      3   0.157785D+02 -0.103581D+01  0.923044D+01 -0.923686D+01  0.931733D+00
      4   0.303671D+02 -0.208132D+00  0.184771D+02 -0.136137D+02  0.106171D+01
      5   0.224763D+01  0.891311D+01  0.888208D+00  0.597307D+00 -0.159904D+01
      6  -0.195912D+01 -0.627511D+01 -0.788071D+00 -0.939500D+00  0.207270D+01
               196           197           198           199           200 
      1   0.338742D+01  0.973059D+00  0.332684D+01 -0.270342D+01 -0.147051D+02
      2  -0.102074D+01 -0.333358D+01 -0.258853D+01  0.732293D+01  0.199029D+02
      3  -0.236667D+01  0.236052D+01 -0.738313D+00 -0.461951D+01 -0.519784D+01
      4  -0.421184D+01  0.337874D+01 -0.542396D+01  0.887616D+00  0.207625D+01
      5   0.940245D+01 -0.367434D+01 -0.279335D+00  0.141463D+01  0.126892D+01
      6  -0.564046D+01  0.365318D+01  0.109132D+01 -0.309455D+01 -0.131164D+01
               201           202           203           204           205 
      1   0.218543D+01 -0.941881D+01 -0.333491D+02  0.710754D+01  0.346827D+01
      2  -0.354583D+01  0.107700D+02  0.541581D+02 -0.111112D+02 -0.246753D+01
      3   0.136040D+01 -0.135123D+01 -0.208090D+02  0.400368D+01 -0.100073D+01
      4  -0.190484D+01  0.665485D+01 -0.110997D+02  0.190550D+01 -0.426322D+01
      5  -0.159288D+01  0.192580D+01  0.546006D+01 -0.342429D+01 -0.426353D+00
      6   0.502599D+01 -0.156515D+01 -0.788463D+01  0.893837D+01  0.316886D+01
               206           207 
      1   0.979657D+01 -0.863870D+01
      2  -0.158414D+02  0.757387D+01
      3   0.604487D+01  0.106484D+01
      4   0.581424D+01  0.992948D-03
      5  -0.320977D+01  0.118473D+01
      6   0.957699D+01 -0.469475D+01
 Leave Link  716 at Thu Jul  8 21:24:18 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150134D+03 -0.263651D+01  0.789743D+00
      2  -0.263651D+01  0.133772D+03 -0.465711D+01
      3   0.789743D+00 -0.465711D+01  0.854564D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.427805D+01  0.241980D+00 -0.123672D+02
      2   0.556272D+01 -0.118111D+02 -0.177509D+01
      3   0.884610D+01 -0.464300D+02  0.917501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.131181D+03  0.662621D+01 -0.624544D+01
      2  -0.703111D+02  0.203353D+02 -0.139506D+02
      3  -0.608697D+02 -0.269615D+02  0.201961D+02
      4   0.578618D+02  0.636181D+02 -0.173575D+02
      5   0.161241D+02 -0.182096D+02 -0.100005D+02
      6  -0.440487D+01  0.116508D+02  0.201971D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146754D+01  0.158265D+01 -0.666873D+00  0.445140D+01 -0.874897D+00
      2   0.158265D+01  0.178371D+01 -0.143462D+00 -0.874897D+00  0.237395D+01
      3  -0.666873D+00 -0.143462D+00  0.213277D+01  0.871907D+00  0.421577D+00
                 6             7             8             9            10 
      1   0.871907D+00 -0.119210D+01  0.569376D+00  0.393262D+01  0.507750D+01
      2   0.421577D+00  0.569376D+00  0.625936D+00  0.322726D+01 -0.858546D+00
      3   0.242929D+01  0.393262D+01  0.322726D+01 -0.876180D+00 -0.291458D+00
                11            12            13            14            15 
      1  -0.858546D+00 -0.291458D+00 -0.141788D+01 -0.157663D+01  0.889012D+00
      2   0.263096D+01  0.127868D+00 -0.157663D+01 -0.264279D+01  0.385036D-01
      3   0.127868D+00  0.298687D+01  0.889012D+00  0.385036D-01 -0.106614D+01
                16            17            18            19            20 
      1   0.309664D-01  0.958092D+00  0.515804D+01  0.638025D+00 -0.453919D+01
      2   0.958092D+00  0.341157D+00 -0.121305D+01 -0.453919D+01 -0.749632D+00
      3   0.515804D+01 -0.121305D+01  0.114438D+01  0.640991D+00 -0.272444D+00
                21            22            23            24            25 
      1   0.640991D+00  0.470185D+01 -0.104496D+01  0.912956D-01 -0.623849D-01
      2  -0.272444D+00 -0.104496D+01  0.234154D+01  0.534738D+00 -0.344200D+00
      3  -0.951399D+00  0.912956D-01  0.534738D+00  0.208640D+01 -0.136520D+00
                26            27            28            29            30 
      1  -0.344200D+00 -0.136520D+00 -0.126839D+02  0.453317D+01 -0.137187D+01
      2   0.513786D+00  0.356458D+01  0.453317D+01 -0.457447D+01  0.632145D+00
      3   0.356458D+01 -0.172147D+01 -0.137187D+01  0.632145D+00 -0.187399D+01
                31            32            33            34            35 
      1   0.788716D+01  0.233964D+01 -0.282941D+00 -0.111982D+01 -0.577978D+00
      2   0.233964D+01  0.179870D+01  0.303449D+00 -0.577978D+00  0.857700D-01
      3  -0.282941D+00  0.303449D+00 -0.258396D-02 -0.286309D+01  0.125079D+01
                36            37            38            39            40 
      1  -0.286309D+01 -0.161624D+00 -0.381681D+01  0.535407D+00 -0.121584D+02
      2   0.125079D+01 -0.381681D+01 -0.664986D+01  0.992446D+00 -0.295014D+01
      3  -0.144414D+01  0.535407D+00  0.992446D+00 -0.174747D+01  0.234980D+00
                41            42            43            44            45 
      1  -0.295014D+01  0.234980D+00  0.205252D+01  0.212718D-01 -0.184269D+01
      2  -0.605565D+01  0.452912D-02  0.212718D-01 -0.350886D+00 -0.292342D+01
      3   0.452912D-02 -0.838533D+00 -0.184269D+01 -0.292342D+01  0.735371D+00
                46            47            48            49            50 
      1  -0.289413D+01  0.325838D+01 -0.527997D+00 -0.438018D+01  0.585268D+00
      2   0.325838D+01  0.315303D+01 -0.423636D-01  0.585268D+00 -0.562899D+00
      3  -0.527997D+00 -0.423636D-01 -0.562301D-01  0.966153D-01 -0.671299D+00
                51            52            53            54            55 
      1   0.966153D-01 -0.339507D-01  0.789723D+00  0.158669D+01  0.207989D+01
      2  -0.671299D+00  0.789723D+00 -0.338290D+00 -0.349114D+01 -0.304628D+00
      3  -0.244881D+01  0.158669D+01 -0.349114D+01  0.138023D+01  0.623240D+00
                56            57            58            59            60 
      1  -0.304628D+00  0.623240D+00 -0.826173D+00  0.427457D+01 -0.438492D+00
      2   0.314599D+01 -0.360574D+00  0.427457D+01 -0.177786D+01 -0.188739D+01
      3  -0.360574D+00  0.192483D+01 -0.438492D+00 -0.188739D+01 -0.101180D+01
                61            62            63            64            65 
      1   0.239882D+01 -0.510450D+00  0.329849D+01  0.723040D+01 -0.190643D+01
      2  -0.510450D+00 -0.221666D+01 -0.143320D+01 -0.190643D+01 -0.230883D+01
      3   0.329849D+01 -0.143320D+01  0.819982D+01  0.200574D+01  0.417243D-01
                66            67            68            69            70 
      1   0.200574D+01 -0.436297D+01 -0.166490D+01  0.479667D+00  0.225569D+01
      2   0.417243D-01 -0.166490D+01  0.112975D+01  0.129346D+01  0.133971D-01
      3  -0.155117D+00  0.479667D+00  0.129346D+01 -0.800138D+00  0.179475D+01
                71            72            73            74            75 
      1   0.133971D-01  0.179475D+01 -0.556992D+01 -0.125366D+01 -0.163614D+01
      2   0.176039D+01  0.532445D+00 -0.125366D+01  0.781510D+00 -0.103986D+01
      3   0.532445D+00 -0.778000D+01 -0.163614D+01 -0.103986D+01  0.274947D+00
                76            77            78            79            80 
      1   0.764897D+00 -0.111485D+01 -0.531805D+00 -0.181378D+01  0.280123D+00
      2  -0.111485D+01 -0.521491D+01 -0.143635D+01  0.280123D+00 -0.131043D+01
      3  -0.531805D+00 -0.143635D+01  0.278090D+00 -0.171284D+01 -0.208200D+01
                81            82            83            84            85 
      1  -0.171284D+01  0.265885D+01  0.393875D+00  0.184702D+00  0.997403D+00
      2  -0.208200D+01  0.393875D+00 -0.161852D+01 -0.697027D+00  0.224749D+01
      3   0.513205D-02  0.184702D+00 -0.697027D+00 -0.240786D+00 -0.133337D+01
                86            87            88            89            90 
      1   0.224749D+01 -0.133337D+01 -0.869284D+00 -0.290048D+01  0.222159D+01
      2   0.839178D+01  0.481952D+00 -0.290048D+01 -0.987763D+00  0.600975D+01
      3   0.481952D+00  0.242484D+01  0.222159D+01  0.600975D+01 -0.536078D+01
                91            92            93            94            95 
      1   0.702239D+01  0.443078D+01 -0.323986D+00  0.448461D+01  0.449681D+01
      2   0.443078D+01  0.342199D+01 -0.187482D+00  0.449681D+01  0.527793D+01
      3  -0.323986D+00 -0.187482D+00  0.632499D+00 -0.494938D+00 -0.473707D+00
                96            97            98            99           100 
      1  -0.494938D+00 -0.177826D+00 -0.337274D+00  0.131358D-01  0.129068D+02
      2  -0.473707D+00 -0.337274D+00 -0.512140D+00  0.649332D-01 -0.248511D+01
      3   0.662404D+00  0.131358D-01  0.649332D-01 -0.466028D-01  0.100200D+01
               101           102           103           104           105 
      1  -0.248511D+01  0.100200D+01 -0.256461D+01  0.213526D+01 -0.452521D+00
      2   0.119940D+01 -0.184918D+00  0.213526D+01 -0.107788D+01  0.237596D+00
      3  -0.184918D+00  0.889780D+00 -0.452521D+00  0.237596D+00 -0.282660D+00
               106           107           108           109           110 
      1   0.111471D+01 -0.498230D+00  0.632134D-01 -0.873794D+00  0.147488D+01
      2  -0.498230D+00  0.166357D+00 -0.545329D-01  0.147488D+01 -0.964921D+00
      3   0.632134D-01 -0.545329D-01  0.833253D-01 -0.147467D+00  0.190331D+00
               111           112           113           114           115 
      1  -0.147467D+00  0.129164D+01 -0.111237D+01  0.982161D-01 -0.275171D+00
      2   0.190331D+00 -0.111237D+01  0.889562D+01 -0.136626D+01  0.278580D+00
      3  -0.820829D-01  0.982161D-01 -0.136626D+01  0.960644D+00  0.192259D-01
               116           117           118           119           120 
      1   0.278580D+00  0.192259D-01  0.149144D+01 -0.196028D+01  0.314432D+00
      2  -0.151391D+01  0.303838D+00 -0.196028D+01  0.217658D+01 -0.378764D+00
      3   0.303838D+00 -0.290152D+00  0.314432D+00 -0.378764D+00  0.359260D+00
               121           122           123           124           125 
      1  -0.186003D+01  0.293483D+01 -0.411934D+00  0.455674D+00 -0.532962D+00
      2   0.293483D+01 -0.987452D+01  0.127972D+01 -0.532962D+00  0.137600D+01
      3  -0.411934D+00  0.127972D+01 -0.979244D+00  0.197754D+00 -0.379157D+00
               126           127           128           129           130 
      1   0.197754D+00 -0.191512D+01  0.262052D+00 -0.183438D+01  0.724117D+00
      2  -0.379157D+00  0.262052D+00 -0.677740D+00  0.325654D+00 -0.166896D+01
      3   0.274900D+00 -0.183438D+01  0.325654D+00 -0.167483D+01  0.482130D+00
               131           132           133           134           135 
      1  -0.166896D+01  0.482130D+00 -0.452034D+01  0.124418D+01 -0.322787D+01
      2   0.136834D+01 -0.104383D+01  0.124418D+01 -0.151955D+01  0.143807D+01
      3  -0.104383D+01  0.878863D+00 -0.322787D+01  0.143807D+01 -0.890612D+01
               136           137           138           139           140 
      1   0.833050D+01 -0.336149D+01  0.103138D+01 -0.536257D+00 -0.367660D+01
      2  -0.336149D+01 -0.240497D+01  0.421553D-01 -0.367660D+01  0.475696D+00
      3   0.103138D+01  0.421553D-01 -0.177845D+01  0.320836D-01  0.297745D+01
               141           142           143           144           145 
      1   0.320836D-01  0.167846D+01 -0.844132D+00 -0.155735D+01 -0.121543D+02
      2   0.297745D+01 -0.844132D+00  0.399616D+01 -0.157723D+00  0.549682D+00
      3   0.241505D+00 -0.155735D+01 -0.157723D+00 -0.571096D+01 -0.153273D+01
               146           147           148           149           150 
      1   0.549682D+00 -0.153273D+01  0.157536D+01 -0.140185D+01  0.143001D+00
      2  -0.103226D+01  0.870676D-02 -0.140185D+01  0.365488D+00 -0.452761D+00
      3   0.870676D-02 -0.111401D+01  0.143001D+00 -0.452761D+00  0.123163D-01
               151           152           153           154           155 
      1  -0.295554D+01  0.148015D+00 -0.181851D+01 -0.119055D+01  0.514935D-01
      2   0.148015D+00 -0.760583D+00  0.384503D-01  0.514935D-01  0.350885D+00
      3  -0.181851D+01  0.384503D-01 -0.369137D+00  0.104333D+01  0.330888D-01
               156           157           158           159           160 
      1   0.104333D+01  0.207376D+00 -0.230255D+00 -0.309708D-01  0.197626D+01
      2   0.330888D-01 -0.230255D+00 -0.199814D+00  0.110537D+01  0.374929D-01
      3   0.821599D-01 -0.309708D-01  0.110537D+01 -0.248803D+00 -0.264461D+01
               161           162           163           164           165 
      1   0.374929D-01 -0.264461D+01  0.732120D+00 -0.831018D+00 -0.664233D+00
      2   0.153797D+01 -0.278013D+00 -0.831018D+00  0.226041D+01  0.589950D+00
      3  -0.278013D+00  0.791615D+01 -0.664233D+00  0.589950D+00  0.261447D+00
               166           167           168           169           170 
      1  -0.140988D+01 -0.403427D+00  0.207916D+00 -0.953369D+00  0.178938D+00
      2  -0.403427D+00 -0.955987D+01 -0.245179D+01  0.178938D+00 -0.383028D+01
      3   0.207916D+00 -0.245179D+01 -0.170719D+01 -0.186419D+00 -0.288825D+01
               171           172           173           174           175 
      1  -0.186419D+00 -0.131418D+01 -0.992572D+00  0.143831D+01 -0.659598D+00
      2  -0.288825D+01 -0.992572D+00 -0.239168D+00  0.533450D+00 -0.122085D+01
      3  -0.147832D+01  0.143831D+01  0.533450D+00 -0.844120D+00  0.635191D+00
               176           177           178           179           180 
      1  -0.122085D+01  0.635191D+00  0.290350D+01  0.196528D+01 -0.162732D+01
      2  -0.430989D+01  0.224600D+01  0.196528D+01  0.460600D+01 -0.480058D+01
      3   0.224600D+01 -0.179938D+01 -0.162732D+01 -0.480058D+01  0.714495D+01
               181           182           183           184           185 
      1  -0.191912D+00  0.308047D+00  0.822502D+00 -0.328610D+00  0.467872D+00
      2   0.308047D+00  0.743930D+00  0.208651D+00  0.467872D+00  0.224495D+00
      3   0.822502D+00  0.208651D+00  0.122222D+01  0.422434D-01  0.596468D+00
               186           187           188           189           190 
      1   0.422434D-01  0.122990D+01 -0.353133D+00 -0.680017D-01 -0.113442D+02
      2   0.596468D+00 -0.353133D+00  0.162579D+01  0.143461D+01  0.424656D+01
      3  -0.112707D+00 -0.680017D-01  0.143461D+01  0.744706D+01 -0.376811D-01
               191           192           193           194           195 
      1   0.424656D+01 -0.376811D-01  0.195666D+01 -0.164478D+01  0.197469D-01
      2  -0.285827D+01 -0.204913D+00 -0.164478D+01  0.150162D+01 -0.324625D+00
      3  -0.204913D+00 -0.103954D+01  0.197469D-01 -0.324625D+00  0.155781D+00
               196           197           198           199           200 
      1  -0.105893D+01  0.378083D+00 -0.112460D+01  0.658125D+00  0.121817D+01
      2   0.378083D+00 -0.818250D+00  0.552378D+00  0.121817D+01  0.243024D+01
      3  -0.112460D+01  0.552378D+00  0.198544D+00 -0.607212D+00 -0.214360D+00
               201           202           203           204           205 
      1  -0.607212D+00  0.146206D+01  0.110375D+01 -0.347037D+00 -0.106403D+01
      2  -0.214360D+00  0.110375D+01  0.713118D+01 -0.141280D+01  0.362892D-01
      3   0.791250D+00 -0.347037D+00 -0.141280D+01  0.116787D+01  0.524331D+00
               206           207 
      1   0.362892D-01  0.524331D+00
      2  -0.247656D+01  0.128397D+01
      3   0.128397D+01 -0.546013D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.830942D+00 -0.173282D+00 -0.438352D+01 -0.157023D+01  0.903749D-01
      2  -0.908443D+00 -0.155950D+01  0.477053D+01  0.129149D+01  0.232967D+01
      3  -0.411101D+01 -0.125901D+02  0.972524D+00  0.742027D+01 -0.126087D+01
                 6             7             8             9            10 
      1  -0.654142D+00 -0.768258D+01  0.526131D+01 -0.106648D+01 -0.303248D-01
      2   0.772614D+01  0.363652D+00  0.112217D+02 -0.303829D+01  0.676503D+00
      3  -0.118562D+01 -0.214285D+01 -0.273413D+01 -0.451798D+01  0.299203D+01
                11            12            13            14            15 
      1  -0.137365D+00  0.179182D+01  0.282699D+00  0.254528D+01  0.239880D+01
      2  -0.116715D+00  0.944970D+01  0.303792D+01 -0.136401D+01 -0.342662D+01
      3  -0.105167D+02  0.254404D+00  0.102151D+02  0.169771D+00  0.162485D+01
                16            17            18            19            20 
      1   0.369006D+01  0.106660D+02 -0.160889D+01 -0.157243D+00  0.153628D+00
      2   0.854783D+01 -0.513793D+01  0.348315D+01  0.225327D+01 -0.210267D+01
      3  -0.292420D+01  0.666694D+00  0.166852D+01  0.670610D+01 -0.500387D+01
                21            22            23            24            25 
      1   0.338685D+01  0.671847D+00  0.327478D+00 -0.367201D+01  0.219939D+01
      2  -0.239231D+01 -0.126403D+01 -0.232821D-01  0.348157D+01 -0.138641D+02
      3   0.188503D+01  0.566681D+01 -0.770954D+01 -0.753373D+00  0.354835D+01
                26            27            28            29            30 
      1   0.100757D+01  0.122149D+01 -0.305458D+00 -0.178673D+00  0.158992D+01
      2   0.427412D+01 -0.261253D+01  0.846440D+00  0.132968D+01 -0.234704D+01
      3  -0.130707D+01 -0.649916D+01 -0.341476D+01  0.113086D+02 -0.161056D+01
                31            32            33            34            35 
      1  -0.131214D+01  0.172385D+01 -0.440103D+00  0.225844D+01  0.100492D+02
      2   0.577598D+00 -0.979490D+00  0.256632D+00 -0.141402D+02  0.126286D+01
      3   0.117020D+02 -0.932745D+01  0.216595D+01  0.898826D+00  0.248705D+01
                36            37            38            39            40 
      1  -0.538370D+00  0.121020D+01  0.218394D+00 -0.132893D+01 -0.197689D+00
      2  -0.930688D+00  0.334462D+00 -0.605769D+00 -0.143966D+01 -0.308761D+01
      3  -0.236862D+01 -0.622959D+01  0.476347D+01 -0.584484D+00  0.109994D+02
                41            42            43            44            45 
      1   0.165638D+01 -0.926989D+00 -0.272591D+01  0.704828D+01 -0.261102D+00
      2   0.177444D+01 -0.101754D+01 -0.144314D+02 -0.586414D+00  0.454923D-01
      3   0.178873D+02 -0.212648D+01 -0.130576D+01 -0.994840D+00  0.373459D+01
                46            47            48            49            50 
      1  -0.125434D+01  0.392275D+00 -0.117230D+01 -0.388259D+00 -0.157453D+00
      2  -0.673681D-01 -0.408059D+00 -0.956644D+00 -0.142224D+01 -0.158583D+01
      3  -0.463399D+00 -0.131614D+02  0.124297D+01  0.888166D+00  0.408653D+01
                51            52            53            54            55 
      1  -0.341641D+01  0.240412D+01  0.175759D+01  0.222405D+00  0.736988D+00
      2  -0.616215D+01 -0.939095D+01 -0.887676D+01  0.297422D+01  0.685198D+00
      3   0.956432D+00  0.122334D+01  0.113462D+01  0.665791D+01  0.373658D+01
                56            57            58            59            60 
      1   0.243028D+00 -0.247674D+01 -0.199029D+01  0.410192D+01 -0.549155D+00
      2  -0.196482D+00  0.464915D+00  0.377940D+00  0.458239D+01  0.730418D+00
      3  -0.284038D+00 -0.100984D+01  0.151731D+02  0.405114D+01 -0.542152D+01
                61            62            63            64            65 
      1  -0.467077D+01  0.764243D+01 -0.557327D+01 -0.355092D+00  0.233521D+00
      2  -0.893256D+01  0.153661D+01 -0.119037D+02 -0.954819D+01  0.752097D+00
      3   0.170360D+01 -0.705351D+01  0.124089D+01 -0.944683D+01 -0.992492D+01
                66            67            68            69            70 
      1   0.802664D-01  0.119921D+01 -0.124035D+01  0.804883D+00  0.133260D+01
      2   0.692311D+00 -0.673027D+00 -0.301497D+01  0.219257D+01 -0.868278D+01
      3  -0.328234D-01 -0.877290D+01  0.546252D+01  0.460432D+01 -0.128641D+01
                71            72            73            74            75 
      1   0.207377D+01 -0.195933D+00 -0.258308D+01 -0.214931D+00  0.150086D+01
      2  -0.253671D+01  0.198991D+02  0.672746D+00  0.458827D+00  0.624151D+01
      3   0.387305D+01  0.672511D+00  0.136149D+02 -0.406877D+01  0.238327D+01
                76            77            78            79            80 
      1   0.776734D+00 -0.369730D+00 -0.638502D+01 -0.446037D+01  0.187006D+01
      2   0.437440D+00  0.272602D+01 -0.226849D+01 -0.352067D+01  0.402424D+01
      3   0.778077D+01 -0.136772D+02 -0.478078D+01  0.583026D+01 -0.650849D+01
                81            82            83            84            85 
      1  -0.180233D+01  0.100852D+01 -0.516309D+01 -0.193483D+01 -0.332249D+01
      2   0.125841D+01  0.251394D+01 -0.735002D+00 -0.156033D+01  0.869536D+00
      3  -0.271196D+00 -0.778097D+01 -0.194510D+01 -0.106550D+01  0.715695D+01
                86            87            88            89            90 
      1   0.510205D+01  0.589884D+01  0.769062D+01  0.196343D+02 -0.128093D+02
      2  -0.106713D+01  0.961041D+00 -0.404033D+01 -0.236824D+01  0.576183D+00
      3   0.532766D+00  0.542067D+01 -0.190496D+00  0.101941D+02 -0.764598D+00
                91            92            93            94            95 
      1  -0.470972D-01 -0.293305D+00 -0.239651D+01  0.367519D+00  0.524499D-01
      2   0.312605D+00  0.212073D+00  0.366406D+01 -0.695232D+00 -0.677674D+00
      3  -0.248013D+01 -0.604639D+01  0.507610D-01 -0.493075D+01 -0.102921D+02
                96            97            98            99           100 
      1  -0.273427D+01  0.117690D+01  0.133521D+01  0.108610D+00  0.159840D+00
      2   0.331635D+01 -0.161938D+01 -0.103977D+01 -0.130984D+00  0.151614D+01
      3   0.607697D+00  0.112283D+01  0.152469D+01  0.100512D-01  0.261592D+01
               101           102           103           104           105 
      1   0.376056D+00  0.117486D+01  0.408898D-01 -0.896114D-01 -0.674519D+00
      2  -0.281524D+00  0.603046D+01 -0.130178D+01  0.606681D+00 -0.175723D+01
      3  -0.582722D+01  0.195058D+00 -0.486050D+01  0.318661D+01 -0.530562D+00
               106           107           108           109           110 
      1  -0.675269D+00  0.596468D+00  0.530348D-01 -0.312769D+00  0.166894D+00
      2  -0.259149D+01  0.488492D+00  0.260076D+00 -0.768981D+00  0.791438D+00
      3   0.167649D+01 -0.958020D+00  0.195001D+00 -0.603277D+01  0.488846D+01
               111           112           113           114           115 
      1   0.640291D+00  0.539927D+00 -0.100658D+01 -0.419679D+01 -0.456985D+00
      2  -0.327358D-01  0.110326D+01 -0.197267D+01  0.504826D+00 -0.147366D+01
      3  -0.471715D+00  0.836689D+01 -0.154295D+02  0.196040D+01 -0.724318D+00
               116           117           118           119           120 
      1   0.215082D+01  0.432565D+00  0.133832D+00 -0.175592D+00  0.130753D+01
      2   0.402107D+00  0.107037D+00  0.472440D+00 -0.478817D+00  0.109138D+01
      3   0.287750D+01 -0.250382D+00  0.144615D+01 -0.176657D+01  0.353378D+00
               121           122           123           124           125 
      1   0.423360D-01 -0.354371D+00 -0.449551D+01 -0.486306D-01  0.188479D+01
      2  -0.184131D+00  0.236515D+01 -0.266671D+01 -0.109890D+01  0.878445D-01
      3   0.477789D+00  0.173645D+02 -0.217816D+01  0.478452D+00 -0.217444D+01
               126           127           128           129           130 
      1   0.452286D+00  0.204419D+01  0.923460D+00  0.124655D+01  0.954913D+00
      2   0.276982D+00  0.781278D+00 -0.778810D+00  0.292027D+01 -0.950369D+00
      3  -0.966760D-02 -0.194823D+01 -0.352151D+01 -0.136968D+01 -0.192716D+01
               131           132           133           134           135 
      1  -0.351544D+00 -0.156627D+01  0.210213D+01  0.131590D+01  0.751826D+01
      2   0.482987D+00 -0.121674D+01  0.429294D+00 -0.112018D+01  0.121464D+02
      3   0.940136D+00 -0.136136D+01 -0.315164D+01 -0.870801D+00 -0.289005D+00
               136           137           138           139           140 
      1  -0.417693D+01 -0.154563D+01  0.494572D+01  0.586087D+00 -0.117512D+02
      2  -0.543328D+01  0.247975D+01  0.522513D+01  0.202588D+01 -0.482040D+01
      3   0.158358D+02 -0.198361D+02  0.300654D+01 -0.110728D+02 -0.995135D+01
               141           142           143           144           145 
      1  -0.169964D+01  0.255343D+01  0.463101D+01  0.143610D+02 -0.164693D+00
      2  -0.336807D+00  0.367254D+00  0.120793D+01  0.118750D+02  0.524965D+01
      3   0.755322D+01  0.215709D+01  0.751191D+01 -0.474110D+01  0.491543D+01
               146           147           148           149           150 
      1   0.315936D+00 -0.121106D-01 -0.936010D-01 -0.108595D+00 -0.708418D+00
      2  -0.767105D-01  0.623907D+01 -0.555682D+00  0.127190D+01 -0.404001D+00
      3  -0.723142D+01  0.541092D+00 -0.294140D+01  0.189449D+01 -0.153683D+01
               151           152           153           154           155 
      1  -0.543512D+00  0.893788D+00 -0.170578D+00  0.490856D-01  0.499519D+00
      2   0.403024D+01 -0.781373D-01  0.146221D+01 -0.236907D+01  0.126939D+00
      3   0.820369D+00 -0.341441D+01  0.443467D+00  0.133980D+01  0.119725D+01
               156           157           158           159           160 
      1  -0.445548D-01  0.871570D-02  0.231771D+00 -0.625028D+00 -0.747260D+00
      2   0.405369D+00  0.922093D+00 -0.297657D+01  0.559915D+00  0.233532D+01
      3  -0.365564D+00  0.183388D+01 -0.355978D+00  0.281096D+01 -0.900127D+00
               161           162           163           164           165 
      1   0.438481D+01  0.151923D+01 -0.146362D+01  0.182446D+01  0.105801D+01
      2   0.108409D+01 -0.203896D+02 -0.135561D+00 -0.667266D+00  0.917799D+00
      3   0.596375D+01  0.410070D+00 -0.267305D+01  0.148642D+01  0.277992D+01
               166           167           168           169           170 
      1  -0.169209D+00 -0.676942D+01 -0.664183D+01 -0.859589D+00 -0.646735D+01
      2  -0.561847D+00  0.149200D+01  0.464547D+00 -0.753090D+00  0.890441D+00
      3   0.534954D+01 -0.675896D+01 -0.295650D+01  0.397335D+01 -0.403824D+01
               171           172           173           174           175 
      1  -0.455362D+01  0.324007D+01  0.874669D+00 -0.196519D+01  0.164346D+01
      2   0.732804D+00  0.106300D+01  0.658410D+00  0.823275D+00  0.443320D+00
      3  -0.185376D+01  0.402193D+01  0.871507D+00 -0.338018D+01  0.177155D+01
               176           177           178           179           180 
      1   0.312911D+01 -0.509868D+01 -0.379986D+01 -0.824993D+01  0.172980D+02
      2  -0.650999D+00  0.892832D+00 -0.227769D+01  0.133297D+01 -0.251825D+01
      3  -0.146288D+01  0.197651D-01 -0.767468D+01 -0.213301D+01 -0.425641D+00
               181           182           183           184           185 
      1  -0.175515D+01  0.550461D+00 -0.301316D+01  0.207069D+00 -0.168884D+01
      2  -0.252562D+01 -0.271878D+00 -0.203168D+01  0.240391D+00 -0.118983D+01
      3   0.770172D+00  0.188078D+01  0.227390D+01  0.142107D+01  0.130640D+01
               186           187           188           189           190 
      1  -0.373161D+00 -0.478789D+00  0.517400D+00 -0.184276D+02  0.866105D+00
      2   0.168974D+00 -0.371896D+01 -0.230573D+01 -0.141416D+02  0.384883D+01
      3   0.103053D+01  0.287343D+01  0.257420D+01  0.374225D+01 -0.202109D+02
               191           192           193           194           195 
      1  -0.291785D+00  0.328474D+01 -0.460139D+00  0.135706D+01 -0.122944D+01
      2  -0.670786D+00  0.509193D+01 -0.101397D+01  0.114019D+01 -0.848832D+00
      3   0.629997D+00 -0.842184D+00  0.327679D+01 -0.163999D+00 -0.103561D+01
               196           197           198           199           200 
      1   0.214887D+01 -0.401281D+00 -0.566223D+00  0.232603D+01  0.140135D+01
      2   0.127977D+01 -0.825567D+00 -0.363210D+00  0.922624D+00 -0.187541D+00
      3  -0.156733D+01 -0.127135D+01 -0.124128D+01  0.812467D+01  0.780594D+01
               201           202           203           204           205 
      1  -0.327956D+01  0.179005D+01  0.589826D+01 -0.575223D+01 -0.173495D+01
      2  -0.530218D+00  0.383039D+00  0.155143D+01 -0.115070D+01 -0.189224D+01
      3  -0.286965D+01  0.100805D+02  0.181873D+02 -0.448345D+01 -0.443858D+01
               206           207 
      1  -0.271051D+01  0.205019D+01
      2  -0.161756D+01  0.527210D+00
      3  -0.534930D+01  0.445715D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.896403D-01 -0.208245D+02  0.171952D+01  0.293774D+02  0.266159D+01
      2  -0.398134D+01  0.139314D+02  0.197691D+01 -0.299272D+02 -0.793576D+01
      3   0.407098D+01  0.689308D+01 -0.369643D+01  0.549835D+00  0.527416D+01
      4  -0.204930D+02  0.116023D+02 -0.370016D+01  0.789790D+00 -0.178731D+02
      5   0.440176D+00 -0.402121D+01  0.107662D+02  0.342084D+01  0.781193D+01
      6  -0.150122D+01 -0.907243D+00  0.967452D+01  0.602340D+01  0.311397D+01
                 6             7             8             9            10 
      1   0.534123D+00 -0.844800D+01 -0.174715D+01  0.742339D+01 -0.831699D+01
      2  -0.128876D+01  0.911093D+01  0.364828D+01 -0.128034D+02  0.260206D+01
      3   0.754642D+00 -0.662930D+00 -0.190113D+01  0.538001D+01  0.571492D+01
      4   0.771964D+01  0.178319D+00  0.714943D+01  0.153035D+02  0.890851D+01
      5   0.160760D+02  0.278898D+02  0.168929D+02 -0.630049D+01 -0.642423D+01
      6   0.287128D+01  0.956946D+01  0.125312D+02  0.128800D+01  0.760080D+00
                11            12            13            14            15 
      1   0.541351D+01 -0.468017D+01 -0.161233D+02 -0.220752D+02  0.553095D+01
      2  -0.166745D+01  0.148912D+01  0.156435D+02  0.226762D+02 -0.700065D+01
      3  -0.374606D+01  0.319105D+01  0.479825D+00 -0.601013D+00  0.146970D+01
      4   0.233612D+02  0.727069D+00 -0.232509D+02  0.133612D+02 -0.490780D+01
      5   0.419005D+00  0.204365D+02  0.883556D+01 -0.633738D+01 -0.725689D+01
      6  -0.568467D+00 -0.409962D+01 -0.437013D+01 -0.286660D+01 -0.502926D+01
                16            17            18            19            20 
      1  -0.256669D+01  0.708626D+01  0.161573D+02  0.104309D+02  0.474817D+01
      2  -0.177881D+01 -0.528941D+01 -0.203128D+02 -0.718852D+01 -0.657714D+01
      3   0.434550D+01 -0.179684D+01  0.415548D+01 -0.324236D+01  0.182897D+01
      4   0.104015D+02 -0.171645D+01 -0.388699D+01  0.954961D+01 -0.238774D+02
      5   0.374121D+02 -0.662232D+01  0.713512D+01 -0.146632D+01  0.288664D+01
      6  -0.259298D+01  0.604739D+01  0.295539D+01  0.769075D+00 -0.159676D+01
                21            22            23            24            25 
      1   0.882789D+00  0.654485D+01  0.606529D+01 -0.374418D+01 -0.450641D+00
      2  -0.197600D+01  0.883390D+00 -0.125432D+02  0.534340D+01 -0.363697D+00
      3   0.109321D+01 -0.742824D+01  0.647795D+01 -0.159922D+01  0.814338D+00
      4   0.296567D+01  0.174099D+02  0.105730D+02  0.517940D+00 -0.263529D+01
      5  -0.596286D+01 -0.272070D+01  0.103019D+01  0.516012D+01  0.181576D+01
      6  -0.692606D+01 -0.157443D+01  0.792653D+01  0.765822D+01 -0.598399D+00
                26            27            28            29            30 
      1  -0.212974D+01 -0.142787D+02 -0.341909D+02  0.936269D+01 -0.826439D+00
      2   0.665065D+01  0.144185D+01  0.165269D+02 -0.255711D+01  0.305229D+00
      3  -0.452091D+01  0.128368D+02  0.176639D+02 -0.680558D+01  0.521210D+00
      4  -0.127569D+01  0.993915D+01 -0.906094D+01  0.634253D+01 -0.290020D+01
      5   0.984395D+01 -0.619968D+01  0.491844D+01 -0.212987D+01 -0.211083D+01
      6   0.147925D+02 -0.373820D+01 -0.211595D+01  0.266427D+00 -0.195775D+01
                31            32            33            34            35 
      1   0.108622D+02 -0.694533D+00 -0.152534D+01 -0.593505D+01 -0.133213D+01
      2  -0.358875D+01  0.601859D+01  0.303175D+00  0.288049D+01  0.283658D+01
      3  -0.727349D+01 -0.532406D+01  0.122217D+01  0.305456D+01 -0.150445D+01
      4  -0.716335D+01  0.620363D+01 -0.275561D+01  0.167632D+01 -0.417436D+01
      5   0.419197D+00 -0.163294D+01 -0.593171D+00  0.167808D+01  0.720491D+00
      6  -0.144757D+01 -0.249245D+00 -0.202734D+00 -0.192407D+01  0.453294D+01
                36            37            38            39            40 
      1  -0.106544D+02 -0.127594D+02 -0.263696D+02  0.400091D+01 -0.160329D+02
      2  -0.213357D+01  0.122030D+02  0.184964D+02 -0.323070D+01  0.487137D+01
      3   0.127880D+02  0.556418D+00  0.787322D+01 -0.770207D+00  0.111615D+02
      4  -0.137541D+01 -0.856459D+01 -0.881271D-01 -0.720787D+00  0.156208D+01
      5  -0.315831D+00 -0.115083D+01 -0.252191D+01 -0.193735D+01 -0.548573D+00
      6  -0.675953D+00 -0.314544D+01 -0.233615D+01  0.251790D+01  0.144724D+01
                41            42            43            44            45 
      1  -0.120900D+02 -0.114674D+01  0.210317D+01 -0.356290D+01 -0.144923D+02
      2   0.124999D+02 -0.972602D+00 -0.294162D+01  0.343321D+01  0.278608D+01
      3  -0.409902D+00  0.211934D+01  0.838455D+00  0.129685D+00  0.117062D+02
      4  -0.103375D+02  0.665992D+00  0.925254D+00 -0.242080D+01 -0.120174D+01
      5  -0.265922D+00 -0.614726D+00  0.102041D+01 -0.261821D+01 -0.100082D+01
      6  -0.453600D+00  0.125695D+01  0.258278D+01  0.110487D+02 -0.749821D+00
                46            47            48            49            50 
      1   0.121351D+02  0.200951D+02  0.709129D-01 -0.213578D+02  0.143478D+02
      2  -0.115101D+02 -0.146887D+02  0.146117D+01  0.187035D+02 -0.231723D+02
      3  -0.624951D+00 -0.540632D+01 -0.153209D+01  0.265434D+01  0.882454D+01
      4   0.964606D+01 -0.175202D+02  0.397474D+01  0.113379D+02  0.794270D+00
      5  -0.167263D+00  0.534697D+01 -0.353591D+01 -0.394150D+00 -0.341526D+01
      6   0.400947D+01 -0.153217D+01  0.137724D+01 -0.311750D+01  0.783018D+01
                51            52            53            54            55 
      1  -0.227534D+01  0.402459D+01  0.181854D+01 -0.547741D+01  0.209910D+02
      2   0.499861D+01 -0.558500D+01  0.304099D+01 -0.500387D+01 -0.710898D+01
      3  -0.272327D+01  0.156040D+01 -0.485953D+01  0.104813D+02 -0.138820D+02
      4  -0.387187D+01  0.213210D+01 -0.699596D+01 -0.147553D+02 -0.508404D+01
      5  -0.121429D+02  0.100616D+02 -0.153234D+02  0.543795D+01 -0.189136D+01
      6   0.772289D+01 -0.494894D+01  0.135703D+02 -0.103946D+01  0.304720D+01
                56            57            58            59            60 
      1  -0.144625D+02  0.135691D+01 -0.185357D+02 -0.119278D+01  0.393777D+01
      2   0.125845D+02  0.171515D+00  0.173087D+02 -0.268332D+01 -0.813817D+01
      3   0.187808D+01 -0.152842D+01  0.122693D+01  0.387609D+01  0.420040D+01
      4  -0.900877D+01  0.231012D+01 -0.152479D+02  0.107703D+02  0.788014D+01
      5   0.259817D+01 -0.791224D+01  0.273951D+01  0.830593D+01  0.329571D+01
      6   0.206554D+01  0.491987D+01  0.360496D+01 -0.858984D+01 -0.490973D+01
                61            62            63            64            65 
      1   0.121895D+02  0.142065D+01  0.736327D+01 -0.519020D+02  0.993100D+01
      2   0.645104D+01 -0.131901D+02  0.640725D+01  0.287722D+02 -0.737652D+01
      3  -0.186405D+02  0.117695D+02 -0.137705D+02  0.231298D+02 -0.255448D+01
      4  -0.128948D+00  0.997997D+01  0.888688D+01  0.934718D+01  0.644630D+01
      5  -0.128210D+02  0.698143D+01 -0.302498D+02 -0.150594D+02  0.392677D+00
      6   0.965609D+01 -0.459832D+01  0.166579D+02 -0.950645D+00 -0.160846D+01
                66            67            68            69            70 
      1  -0.108275D+02  0.209581D+02  0.129688D+02 -0.754146D-02 -0.160354D+02
      2   0.595446D+01 -0.143890D+02 -0.142686D+02  0.321263D+01  0.304606D+01
      3   0.487299D+01 -0.656911D+01  0.129977D+01 -0.320509D+01  0.129894D+02
      4  -0.224791D-01  0.123598D+01 -0.130472D+01 -0.677166D+01 -0.215284D+01
      5  -0.188037D+01 -0.411036D+01 -0.743797D+01  0.598512D+01 -0.110267D+02
      6   0.370883D-01 -0.255696D+01 -0.173855D+01 -0.446181D+01 -0.270708D+01
                71            72            73            74            75 
      1   0.113366D+01  0.481878D+00  0.266761D+02  0.834420D+01  0.563703D+00
      2  -0.141340D+00  0.142271D+02 -0.149717D+02 -0.466468D+01 -0.202672D+01
      3  -0.992324D+00 -0.147089D+02 -0.117044D+02 -0.367952D+01  0.146301D+01
      4  -0.309001D+01 -0.422782D+01  0.147664D+02  0.139160D+02  0.669670D+01
      5  -0.262456D+01  0.376025D+02  0.818601D+01  0.379112D+01  0.105144D+02
      6  -0.728659D+00  0.327362D+01  0.625500D+01  0.555719D+01 -0.471667D+01
                76            77            78            79            80 
      1  -0.803378D+01 -0.120534D+02 -0.224507D+01  0.102818D+02 -0.966408D+00
      2   0.838122D+01  0.210322D+02  0.854719D+00 -0.679763D+01  0.262726D+01
      3  -0.347432D+00 -0.897876D+01  0.139036D+01 -0.348417D+01 -0.166085D+01
      4   0.133473D+02  0.188691D+02  0.671050D+01  0.676150D+01  0.737314D+01
      5   0.417169D+01  0.609460D+01 -0.424143D+01  0.114391D+02  0.745799D+01
      6   0.738894D+00  0.609791D+01  0.110798D+02  0.678191D+01  0.126657D+02
                81            82            83            84            85 
      1  -0.765157D+01 -0.118967D+02 -0.769610D+01 -0.379011D+01  0.108327D+02
      2  -0.404608D+01  0.842232D+01  0.145695D+02  0.656351D+01 -0.668504D+01
      3   0.116977D+02  0.347442D+01 -0.687336D+01 -0.277340D+01 -0.414766D+01
      4   0.991838D+01  0.657710D-01 -0.520144D+01 -0.325387D+01  0.102310D+01
      5   0.184453D+01 -0.567725D+00 -0.882670D+00 -0.731400D+01  0.261382D+01
      6   0.303543D+01 -0.192141D+01  0.574528D+01  0.409850D+01  0.767438D+01
                86            87            88            89            90 
      1   0.385538D+02  0.244536D+01 -0.176495D+02 -0.593247D+01  0.294158D+02
      2  -0.434110D+02 -0.100843D+02  0.128590D+02 -0.774494D+01 -0.192122D+02
      3   0.485724D+01  0.763889D+01  0.479052D+01  0.136774D+02 -0.102036D+02
      4   0.212925D+01  0.404567D+01  0.328727D+01  0.578973D+01 -0.896226D+01
      5   0.323563D+01 -0.298843D+01 -0.592815D+01 -0.975285D+01  0.922487D+01
      6  -0.770462D+01 -0.174000D+02 -0.122741D+02 -0.366300D+02  0.290117D+02
                91            92            93            94            95 
      1   0.399099D+02  0.215870D+02 -0.180317D+01  0.177205D+02  0.121947D+02
      2  -0.135663D+02 -0.406662D+01  0.822437D+00  0.132029D+01  0.768586D+01
      3  -0.263436D+02 -0.175204D+02  0.980728D+00 -0.190408D+02 -0.198806D+02
      4   0.440031D+02  0.338760D+02 -0.215672D+01  0.399440D+02  0.422381D+02
      5  -0.336158D+01 -0.198029D+01  0.672885D+01 -0.396830D+01 -0.364293D+01
      6  -0.467537D+00 -0.378133D+00  0.318022D+01 -0.179250D+01 -0.178982D+01
                96            97            98            99           100 
      1  -0.138443D+01  0.949125D-02 -0.507090D+00  0.502827D+00  0.100915D+03
      2   0.435272D+00 -0.946555D+00 -0.641501D+00  0.807373D+00 -0.569196D+02
      3   0.949160D+00  0.937064D+00  0.114859D+01 -0.131020D+01 -0.439950D+02
      4  -0.357100D+01 -0.277883D+01 -0.350082D+01  0.275089D+01 -0.261485D+02
      5   0.519861D+01  0.173821D+01  0.108245D+01 -0.561029D+00  0.105033D+02
      6   0.462512D+01  0.107366D+01  0.154640D+01 -0.820303D+00  0.207574D+00
               101           102           103           104           105 
      1  -0.181676D+02  0.681148D+01 -0.175029D+02  0.126870D+02 -0.225728D+01
      2   0.927498D+01 -0.456999D+01  0.805055D+01 -0.560231D+01  0.163550D+01
      3   0.889264D+01 -0.224150D+01  0.945236D+01 -0.708467D+01  0.621784D+00
      4   0.133604D+02 -0.178840D+01  0.205105D+02 -0.957059D+01  0.183894D+01
      5  -0.196951D+01  0.102823D+02 -0.411808D+01  0.209136D+01 -0.265556D+01
      6   0.340555D+00 -0.131085D+01  0.108234D+01 -0.458900D+00  0.193707D+01
               106           107           108           109           110 
      1   0.823951D+01 -0.295683D+01  0.311066D+01 -0.407765D+01  0.505339D+01
      2  -0.458158D+01  0.176458D+01 -0.162337D+01  0.564185D+01 -0.471463D+01
      3  -0.365794D+01  0.119225D+01 -0.148729D+01 -0.156420D+01 -0.338757D+00
      4  -0.418417D+01  0.191902D+01 -0.176133D+01 -0.968120D+00  0.672619D+01
      5   0.285378D+01 -0.672287D+00  0.139140D+01 -0.529819D+00 -0.102948D+00
      6  -0.487039D+00  0.698040D+00 -0.582016D+00 -0.106797D+01  0.146754D+01
               111           112           113           114           115 
      1  -0.130600D+01  0.498145D+01 -0.342007D+02  0.573939D+01 -0.858635D+00
      2   0.641525D+00 -0.537456D+01  0.472245D+02 -0.560495D+01  0.669994D+00
      3   0.664473D+00  0.393117D+00 -0.130238D+02 -0.134445D+00  0.188641D+00
      4  -0.479976D+00  0.523417D+01  0.133049D+02 -0.261464D+01 -0.519701D+00
      5   0.888026D+00 -0.193795D+00 -0.342101D+01  0.164419D+01  0.548651D+00
      6  -0.775863D+00  0.530434D+00 -0.997916D+01  0.780404D+01 -0.244758D+00
               116           117           118           119           120 
      1   0.566779D+01 -0.261111D+01  0.313708D+01 -0.351239D+01  0.367360D+00
      2  -0.687659D+01  0.297590D+01  0.288747D+01 -0.350117D+01  0.902569D-01
      3   0.120880D+01 -0.364785D+00 -0.602455D+01  0.701356D+01 -0.457617D+00
      4  -0.172364D+01 -0.747287D+00 -0.134342D+02  0.180683D+02 -0.272515D+01
      5  -0.538699D-01  0.434475D+00  0.219460D+01 -0.282811D+01  0.305193D+01
      6   0.410100D+01 -0.240432D+01 -0.165235D+01  0.209177D+01 -0.200880D+01
               121           122           123           124           125 
      1   0.694239D+00 -0.200564D+02  0.279419D+01  0.511022D-01  0.197065D+01
      2  -0.870819D+01  0.405054D+02 -0.365729D+01  0.118074D+01 -0.388394D+01
      3   0.801395D+01 -0.204490D+02  0.863096D+00 -0.123184D+01  0.191329D+01
      4   0.202473D+02 -0.458069D+02  0.580745D+01 -0.387230D+01  0.676891D+01
      5  -0.280168D+01  0.588244D+01 -0.479019D+01  0.147655D+01 -0.179188D+01
      6   0.277948D+01 -0.859391D+01  0.786198D+01 -0.174564D+01  0.432708D+01
               126           127           128           129           130 
      1  -0.221191D+01  0.287962D+01  0.135217D+01  0.259874D+01  0.305418D+01
      2   0.314695D+01 -0.654298D+01 -0.139941D+01 -0.406658D+01 -0.336012D+01
      3  -0.935036D+00  0.366336D+01  0.472340D-01  0.146784D+01  0.305944D+00
      4  -0.226703D+01 -0.234388D+01  0.601486D+01 -0.355313D+01  0.821036D+01
      5   0.120852D+01  0.904735D+01 -0.235945D+01  0.133644D+02 -0.212354D+01
      6  -0.250764D+01 -0.446411D+01  0.892670D+00 -0.326806D+01  0.199150D+01
               131           132           133           134           135 
      1  -0.422868D+01  0.176689D+01 -0.232031D+01  0.430358D+01 -0.158075D+02
      2   0.178295D+01 -0.952284D+00 -0.768776D+01  0.637523D-01 -0.174256D+02
      3   0.244573D+01 -0.814610D+00  0.100081D+02 -0.436733D+01  0.332331D+02
      4  -0.639509D+01  0.395224D+01 -0.679827D+01  0.599001D+01 -0.641073D+01
      5   0.367809D+01 -0.308034D+01  0.179115D+02 -0.624802D+01  0.323485D+02
      6  -0.251470D+01  0.896037D+01 -0.802448D+01  0.745140D+01 -0.198798D+02
               136           137           138           139           140 
      1  -0.340306D+02  0.290160D+02 -0.161936D+01  0.245553D+02  0.856746D+01
      2   0.704772D+01 -0.268964D+02  0.571593D+01 -0.257783D+02 -0.125440D+02
      3   0.269829D+02 -0.211956D+01 -0.409658D+01  0.122298D+01  0.397650D+01
      4   0.419656D+02 -0.790684D+01  0.232032D+01  0.443422D+01 -0.134119D+02
      5  -0.188805D+00 -0.215287D+01  0.665422D+01 -0.107661D+01 -0.117214D+02
      6   0.504547D+01 -0.419135D+00 -0.827610D+01 -0.231874D+01  0.187310D+02
               141           142           143           144           145 
      1  -0.109233D+02 -0.317862D+01 -0.101330D+02  0.141519D+02  0.820223D+02
      2   0.171216D+02  0.402277D+00  0.214657D+02  0.373485D+01 -0.466996D+02
      3  -0.619831D+01  0.277635D+01 -0.113327D+02 -0.178868D+02 -0.353227D+02
      4  -0.796582D+01  0.710678D+01 -0.121317D+02 -0.837340D+01  0.369530D+00
      5  -0.936632D-01  0.688549D+01 -0.102427D+01  0.171165D+02  0.116933D+02
      6   0.287251D+01 -0.809451D+01  0.131514D+01 -0.239739D+02  0.962008D+00
               146           147           148           149           150 
      1  -0.407181D+01  0.100389D+02 -0.975493D+01  0.746570D+01 -0.635452D+00
      2   0.275370D+01 -0.586640D+01  0.575821D+01 -0.273005D+01  0.968287D+00
      3   0.131811D+01 -0.417251D+01  0.399672D+01 -0.473565D+01 -0.332834D+00
      4   0.931720D+01  0.146071D+00  0.121065D+02 -0.223267D+01  0.266057D+01
      5  -0.256927D+00  0.104388D+02 -0.107722D+01  0.302939D+01 -0.685823D+00
      6   0.422030D+00  0.317361D+00  0.545881D+00  0.231029D+00  0.152808D+01
               151           152           153           154           155 
      1   0.166401D+02 -0.100410D+01  0.886370D+01  0.788815D+01 -0.238091D+00
      2  -0.105379D+02  0.936796D+00 -0.789525D+01 -0.667648D+01  0.796490D-01
      3  -0.610221D+01  0.673049D-01 -0.968449D+00 -0.121167D+01  0.158442D+00
      4  -0.301803D+00  0.405974D+01  0.143942D+00  0.716858D+00 -0.684578D+00
      5   0.146625D+02 -0.484729D+00  0.447685D+01 -0.572246D+01 -0.307520D+00
      6   0.520056D+00  0.962696D+00 -0.572117D-01 -0.877058D+00 -0.646702D-01
               156           157           158           159           160 
      1  -0.486730D+01 -0.189460D+00 -0.331392D+01  0.155193D+01 -0.706468D+01
      2   0.301314D+01  0.409460D+00  0.464294D+00 -0.654846D+00  0.104602D+02
      3   0.185416D+01 -0.220001D+00  0.284963D+01 -0.897081D+00 -0.339547D+01
      4  -0.104763D+01  0.284892D+01  0.121044D+01 -0.528244D+01 -0.170136D+01
      5   0.434321D+01 -0.161925D+00 -0.516722D+01  0.111606D+01  0.181039D+02
      6   0.343300D+00 -0.157248D+01 -0.162843D+01  0.713842D+01  0.218308D+01
               161           162           163           164           165 
      1   0.607186D+00 -0.468023D+01 -0.167066D+01  0.928006D+01  0.370766D+01
      2  -0.718880D+00 -0.202899D+02  0.432172D+01 -0.133886D+02 -0.353063D+01
      3   0.111693D+00  0.249701D+02 -0.265106D+01  0.410853D+01 -0.177031D+00
      4  -0.771535D+01  0.310584D+01 -0.258310D+01  0.907770D+01  0.337222D+01
      5   0.160577D+01 -0.392742D+02 -0.917745D-01  0.126755D+01  0.259929D+01
      6   0.421016D+01 -0.626177D+01  0.436288D+01 -0.434794D+01 -0.194610D+01
               166           167           168           169           170 
      1  -0.185545D+00 -0.405663D+02 -0.105740D+02  0.216500D+01 -0.167577D+02
      2   0.105399D+00  0.596665D+02  0.154488D+02 -0.825156D+00  0.230306D+02
      3   0.801464D-01 -0.191001D+02 -0.487474D+01 -0.133984D+01 -0.627298D+01
      4   0.639132D+01  0.189980D+01 -0.262381D+00  0.384706D+01  0.468183D+00
      5   0.697062D+00  0.125471D+01  0.149640D+01  0.237527D+01  0.239989D+01
      6  -0.532423D+00  0.191281D+02  0.131158D+02  0.179864D+01  0.205725D+02
               171           172           173           174           175 
      1  -0.134563D+02 -0.172988D+00  0.234727D+00  0.274979D+00 -0.321164D+01
      2   0.130185D+02 -0.149328D+01 -0.720944D+00  0.439001D+00  0.380196D+01
      3   0.437743D+00  0.166626D+01  0.486216D+00 -0.713980D+00 -0.590319D+00
      4   0.815421D+00  0.517464D+01  0.696682D+01 -0.599938D+01  0.410953D+01
      5  -0.665866D-01 -0.431975D+01 -0.377938D+01  0.803805D+01 -0.209644D+01
      6   0.103227D+02 -0.751539D+01 -0.369222D+01  0.441462D+01 -0.422394D+01
               176           177           178           179           180 
      1  -0.195925D+02  0.939172D+01  0.534125D+01  0.217887D+02 -0.275965D+02
      2   0.207449D+02 -0.861357D+01 -0.292717D+01 -0.143051D+02  0.859602D+01
      3  -0.115248D+01 -0.778150D+00 -0.241408D+01 -0.748358D+01  0.190005D+02
      4   0.619699D+01 -0.442451D+01 -0.937048D+01 -0.824782D+01  0.805927D+01
      5  -0.436649D+01  0.358857D+01  0.782649D+01  0.908912D+01 -0.122258D+02
      6  -0.148854D+02  0.151385D+02  0.958914D+01  0.310196D+02 -0.389505D+02
               181           182           183           184           185 
      1   0.917702D+00 -0.498228D+01 -0.550171D+01 -0.175818D+01 -0.475103D+01
      2  -0.183753D+01  0.525933D+01  0.301706D+00  0.180038D+01  0.302784D+01
      3   0.919830D+00 -0.277054D+00  0.520000D+01 -0.421991D-01  0.172319D+01
      4  -0.178337D+01  0.539956D+00  0.329086D+01 -0.780917D-01  0.145852D+01
      5  -0.142013D+01  0.416877D+00  0.683496D+00 -0.320318D+00 -0.106313D+01
      6   0.315777D+01  0.187312D+01  0.565436D+01  0.231146D+00  0.256113D+01
               186           187           188           189           190 
      1  -0.187885D+01 -0.392019D+01 -0.643241D+01 -0.202120D+02  0.540879D+02
      2   0.338132D+01  0.874015D+00  0.557318D+01 -0.835217D+01 -0.173414D+02
      3  -0.150246D+01  0.304617D+01  0.859234D+00  0.285641D+02 -0.367465D+02
      4  -0.154882D+01  0.660295D+01 -0.569849D+01  0.468947D+00 -0.575735D+02
      5   0.605648D+00  0.523498D+01 -0.460998D+01 -0.221427D+02 -0.524657D+01
      6   0.487788D+01 -0.277724D+00  0.111058D+02  0.340425D+02  0.197107D+00
               191           192           193           194           195 
      1  -0.129033D+02  0.169538D+01 -0.571826D+01  0.347129D+01  0.902413D+00
      2  -0.287522D+01 -0.659567D+00 -0.351218D+01  0.576557D+01 -0.183415D+01
      3   0.157785D+02 -0.103581D+01  0.923044D+01 -0.923686D+01  0.931733D+00
      4   0.303671D+02 -0.208132D+00  0.184771D+02 -0.136137D+02  0.106171D+01
      5   0.224763D+01  0.891311D+01  0.888208D+00  0.597307D+00 -0.159904D+01
      6  -0.195912D+01 -0.627511D+01 -0.788071D+00 -0.939500D+00  0.207270D+01
               196           197           198           199           200 
      1   0.338742D+01  0.973059D+00  0.332684D+01 -0.270342D+01 -0.147051D+02
      2  -0.102074D+01 -0.333358D+01 -0.258853D+01  0.732293D+01  0.199029D+02
      3  -0.236667D+01  0.236052D+01 -0.738313D+00 -0.461951D+01 -0.519784D+01
      4  -0.421184D+01  0.337874D+01 -0.542396D+01  0.887616D+00  0.207625D+01
      5   0.940245D+01 -0.367434D+01 -0.279335D+00  0.141463D+01  0.126892D+01
      6  -0.564046D+01  0.365318D+01  0.109132D+01 -0.309455D+01 -0.131164D+01
               201           202           203           204           205 
      1   0.218543D+01 -0.941881D+01 -0.333491D+02  0.710754D+01  0.346827D+01
      2  -0.354583D+01  0.107700D+02  0.541581D+02 -0.111112D+02 -0.246753D+01
      3   0.136040D+01 -0.135123D+01 -0.208090D+02  0.400368D+01 -0.100073D+01
      4  -0.190484D+01  0.665485D+01 -0.110997D+02  0.190550D+01 -0.426322D+01
      5  -0.159288D+01  0.192580D+01  0.546006D+01 -0.342429D+01 -0.426353D+00
      6   0.502599D+01 -0.156515D+01 -0.788463D+01  0.893837D+01  0.316886D+01
               206           207 
      1   0.979657D+01 -0.863870D+01
      2  -0.158414D+02  0.757387D+01
      3   0.604487D+01  0.106484D+01
      4   0.581424D+01  0.992948D-03
      5  -0.320977D+01  0.118473D+01
      6   0.957699D+01 -0.469475D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.123121D+03      0.182446D+02      0.202999D+02
   aniso      0.589955D+02      0.874223D+01      0.972704D+01
   xx         0.150134D+03      0.222476D+02      0.247538D+02
   yx        -0.263651D+01     -0.390690D+00     -0.434701D+00
   yy         0.133772D+03      0.198229D+02      0.220560D+02
   zx         0.789743D+00      0.117028D+00      0.130211D+00
   zy        -0.465711D+01     -0.690112D+00     -0.767853D+00
   zz         0.854564D+02      0.126633D+02      0.140899D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.123121D+03      0.182446D+02      0.202999D+02
   aniso      0.589955D+02      0.874223D+01      0.972704D+01
   xx         0.142570D+03      0.211266D+02      0.235066D+02
   yx        -0.156361D+02     -0.231703D+01     -0.257805D+01
   yy         0.113414D+03      0.168062D+02      0.186994D+02
   zx         0.146941D+02      0.217744D+01      0.242273D+01
   zy         0.203975D+02      0.302260D+01      0.336310D+01
   zz         0.113379D+03      0.168010D+02      0.186937D+02

 ----------------------------------------------------------------------
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 MARY HAD A LITTLE LAMB
      HIS FEET WERE BLACK AS SOOT,
           AND EVERYWHERE THAT MARY WENT
                HIS SOOTY FOOT HE PUT.

                    -- NONAME
 Job cpu time:       0 days 15 hours 11 minutes 16.7 seconds.
 Elapsed time:       0 days  0 hours 57 minutes  2.2 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:24:19 2021.
